3-[2-(3-aminoanilino)quinazolin-6-yl]-1,4-dimethylpyridin-2-one;2-[2-(3-aminoanilino)quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one;3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1-(4-piperidin-1-ylphenyl)pyridin-2-one;3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one;N-[3-[[6-(1,4-dimethyl-2-oxo-3-pyridinyl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;(E)-N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]propanamide;N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-methyl-2-oxo-1-(4-piperidin-1-ylphenyl)-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide

C261H226F6N48O16 — CID 163959241

IUPAC3-[2-(3-aminoanilino)quinazolin-6-yl]-1,4-dimethylpyridin-2-one;2-[2-(3-aminoanilino)quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one;3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1-(4-piperidin-1-ylphenyl)pyridin-2-one;3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one;N-[3-[[6-(1,4-dimethyl-2-oxo-3-pyridinyl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;(E)-N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]propanamide;N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-methyl-2-oxo-1-(4-piperidin-1-ylphenyl)-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide
SMILESC/C=C/C(=O)Nc1cccc(Nc2ncc3cc(C4=C(C)C=CCC4=O)ccc3n2)c1.C=CC(=O)Nc1cccc(Nc2ncc3cc(-c4c(C)ccn(-c5ccc(N6CCCCC6)cc5)c4=O)ccc3n2)c1.C=CC(=O)Nc1cccc(Nc2ncc3cc(-c4c(C)ccn(-c5cccc(C(F)(F)F)c5)c4=O)ccc3n2)c1.C=CC(=O)Nc1cccc(Nc2ncc3cc(-c4c(C)ccn(C)c4=O)ccc3n2)c1.C=CC(=O)Nc1cccc(Nc2ncc3cc(C4=C(C)C=CCC4=O)ccc3n2)c1.CC1=C(c2ccc3nc(Nc4cccc(N)c4)ncc3c2)C(=O)CC=C1.CCC(=O)Nc1cccc(Nc2ncc3cc(C4=C(C)C=CCC4=O)ccc3n2)c1.Cc1ccn(-c2ccc(N3CCCCC3)cc2)c(=O)c1-c1ccc2nc(Nc3cccc(N)c3)ncc2c1.Cc1ccn(-c2cccc(C(F)(F)F)c2)c(=O)c1-c1ccc2nc(Nc3cccc(N)c3)ncc2c1.Cc1ccn(C)c(=O)c1-c1ccc2nc(Nc3cccc(N)c3)ncc2c1
InChIInChI=1S/C34H32N6O2.C31H30N6O.C30H22F3N5O2.C27H20F3N5O.C25H22N4O2.C24H21N5O2.C24H22N4O2.C24H20N4O2.C21H19N5O.C21H18N4O/c1-3-31(41)36-26-8-7-9-27(21-26)37-34-35-22-25-20-24(10-15-30(25)38-34)32-23(2)16-19-40(33(32)42)29-13-11-28(12-14-29)39-17-5-4-6-18-39;1-21-14-17-37(27-11-9-26(10-12-27)36-15-3-2-4-16-36)30(38)29(21)22-8-13-28-23(18-22)20-33-31(35-28)34-25-7-5-6-24(32)19-25;1-3-26(39)35-22-7-5-8-23(16-22)36-29-34-17-20-14-19(10-11-25(20)37-29)27-18(2)12-13-38(28(27)40)24-9-4-6-21(15-24)30(31,32)33;1-16-10-11-35(22-7-2-4-19(13-22)27(28,29)30)25(36)24(16)17-8-9-23-18(12-17)15-32-26(34-23)33-21-6-3-5-20(31)14-21;1-3-6-23(31)27-19-8-5-9-20(14-19)28-25-26-15-18-13-17(11-12-21(18)29-25)24-16(2)7-4-10-22(24)30;1-4-21(30)26-18-6-5-7-19(13-18)27-24-25-14-17-12-16(8-9-20(17)28-24)22-15(2)10-11-29(3)23(22)31;2*1-3-22(30)26-18-7-5-8-19(13-18)27-24-25-14-17-12-16(10-11-20(17)28-24)23-15(2)6-4-9-21(23)29;1-13-8-9-26(2)20(27)19(13)14-6-7-18-15(10-14)12-23-21(25-18)24-17-5-3-4-16(22)11-17;1-13-4-2-7-19(26)20(13)14-8-9-18-15(10-14)12-23-21(25-18)24-17-6-3-5-16(22)11-17/h3,7-16,19-22H,1,4-6,17-18H2,2H3,(H,36,41)(H,35,37,38);5-14,17-20H,2-4,15-16,32H2,1H3,(H,33,34,35);3-17H,1H2,2H3,(H,35,39)(H,34,36,37);2-15H,31H2,1H3,(H,32,33,34);3-9,11-15H,10H2,1-2H3,(H,27,31)(H,26,28,29);4-14H,1H2,2-3H3,(H,26,30)(H,25,27,28);4-8,10-14H,3,9H2,1-2H3,(H,26,30)(H,25,27,28);3-8,10-14H,1,9H2,2H3,(H,26,30)(H,25,27,28);3-12H,22H2,1-2H3,(H,23,24,25);2-6,8-12H,7,22H2,1H3,(H,23,24,25)/b;;;;6-3+;;;;;
InChIKeySGBHRDZOWAQXQJ-ZMMXEGOFSA-N
MW4404.99 g/mol
LogP52.51
Rot. Bonds48

About 3-[2-(3-aminoanilino)quinazolin-6-yl]-1,4-dimethylpyridin-2-one;2-[2-(3-aminoanilino)quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one;3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1-(4-piperidin-1-ylphenyl)pyridin-2-one;3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one;N-[3-[[6-(1,4-dimethyl-2-oxo-3-pyridinyl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;(E)-N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]propanamide;N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-methyl-2-oxo-1-(4-piperidin-1-ylphenyl)-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide

3-[2-(3-aminoanilino)quinazolin-6-yl]-1,4-dimethylpyridin-2-one;2-[2-(3-aminoanilino)quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one;3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1-(4-piperidin-1-ylphenyl)pyridin-2-one;3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one;N-[3-[[6-(1,4-dimethyl-2-oxo-3-pyridinyl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;(E)-N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]propanamide;N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-methyl-2-oxo-1-(4-piperidin-1-ylphenyl)-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide (PubChem CID 163959241) has the molecular formula C261H226F6N48O16 and a molecular weight of 4404.99 g/mol. Its IUPAC name is 3-[2-(3-aminoanilino)quinazolin-6-yl]-1,4-dimethylpyridin-2-one;2-[2-(3-aminoanilino)quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one;3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1-(4-piperidin-1-ylphenyl)pyridin-2-one;3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one;N-[3-[[6-(1,4-dimethyl-2-oxo-3-pyridinyl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;(E)-N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]propanamide;N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-methyl-2-oxo-1-(4-piperidin-1-ylphenyl)-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-[2-(3-aminoanilino)quinazolin-6-yl]-1,4-dimethylpyridin-2-one;2-[2-(3-aminoanilino)quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one;3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1-(4-piperidin-1-ylphenyl)pyridin-2-one;3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one;N-[3-[[6-(1,4-dimethyl-2-oxo-3-pyridinyl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;(E)-N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]propanamide;N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-methyl-2-oxo-1-(4-piperidin-1-ylphenyl)-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide
PubChem CID163959241
Molecular FormulaC261H226F6N48O16
Molecular Weight4404.99 g/mol
Exact Mass4401.83
IUPAC Name3-[2-(3-aminoanilino)quinazolin-6-yl]-1,4-dimethylpyridin-2-one;2-[2-(3-aminoanilino)quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one;3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1-(4-piperidin-1-ylphenyl)pyridin-2-one;3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one;N-[3-[[6-(1,4-dimethyl-2-oxo-3-pyridinyl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;(E)-N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]propanamide;N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-methyl-2-oxo-1-(4-piperidin-1-ylphenyl)-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide
SMILESC/C=C/C(=O)Nc1cccc(Nc2ncc3cc(C4=C(C)C=CCC4=O)ccc3n2)c1.C=CC(=O)Nc1cccc(Nc2ncc3cc(-c4c(C)ccn(-c5ccc(N6CCCCC6)cc5)c4=O)ccc3n2)c1.C=CC(=O)Nc1cccc(Nc2ncc3cc(-c4c(C)ccn(-c5cccc(C(F)(F)F)c5)c4=O)ccc3n2)c1.C=CC(=O)Nc1cccc(Nc2ncc3cc(-c4c(C)ccn(C)c4=O)ccc3n2)c1.C=CC(=O)Nc1cccc(Nc2ncc3cc(C4=C(C)C=CCC4=O)ccc3n2)c1.CC1=C(c2ccc3nc(Nc4cccc(N)c4)ncc3c2)C(=O)CC=C1.CCC(=O)Nc1cccc(Nc2ncc3cc(C4=C(C)C=CCC4=O)ccc3n2)c1.Cc1ccn(-c2ccc(N3CCCCC3)cc2)c(=O)c1-c1ccc2nc(Nc3cccc(N)c3)ncc2c1.Cc1ccn(-c2cccc(C(F)(F)F)c2)c(=O)c1-c1ccc2nc(Nc3cccc(N)c3)ncc2c1.Cc1ccn(C)c(=O)c1-c1ccc2nc(Nc3cccc(N)c3)ncc2c1
InChIInChI=1S/C34H32N6O2.C31H30N6O.C30H22F3N5O2.C27H20F3N5O.C25H22N4O2.C24H21N5O2.C24H22N4O2.C24H20N4O2.C21H19N5O.C21H18N4O/c1-3-31(41)36-26-8-7-9-27(21-26)37-34-35-22-25-20-24(10-15-30(25)38-34)32-23(2)16-19-40(33(32)42)29-13-11-28(12-14-29)39-17-5-4-6-18-39;1-21-14-17-37(27-11-9-26(10-12-27)36-15-3-2-4-16-36)30(38)29(21)22-8-13-28-23(18-22)20-33-31(35-28)34-25-7-5-6-24(32)19-25;1-3-26(39)35-22-7-5-8-23(16-22)36-29-34-17-20-14-19(10-11-25(20)37-29)27-18(2)12-13-38(28(27)40)24-9-4-6-21(15-24)30(31,32)33;1-16-10-11-35(22-7-2-4-19(13-22)27(28,29)30)25(36)24(16)17-8-9-23-18(12-17)15-32-26(34-23)33-21-6-3-5-20(31)14-21;1-3-6-23(31)27-19-8-5-9-20(14-19)28-25-26-15-18-13-17(11-12-21(18)29-25)24-16(2)7-4-10-22(24)30;1-4-21(30)26-18-6-5-7-19(13-18)27-24-25-14-17-12-16(8-9-20(17)28-24)22-15(2)10-11-29(3)23(22)31;2*1-3-22(30)26-18-7-5-8-19(13-18)27-24-25-14-17-12-16(10-11-20(17)28-24)23-15(2)6-4-9-21(23)29;1-13-8-9-26(2)20(27)19(13)14-6-7-18-15(10-14)12-23-21(25-18)24-17-5-3-4-16(22)11-17;1-13-4-2-7-19(26)20(13)14-8-9-18-15(10-14)12-23-21(25-18)24-17-6-3-5-16(22)11-17/h3,7-16,19-22H,1,4-6,17-18H2,2H3,(H,36,41)(H,35,37,38);5-14,17-20H,2-4,15-16,32H2,1H3,(H,33,34,35);3-17H,1H2,2H3,(H,35,39)(H,34,36,37);2-15H,31H2,1H3,(H,32,33,34);3-9,11-15H,10H2,1-2H3,(H,27,31)(H,26,28,29);4-14H,1H2,2-3H3,(H,26,30)(H,25,27,28);4-8,10-14H,3,9H2,1-2H3,(H,26,30)(H,25,27,28);3-8,10-14H,1,9H2,2H3,(H,26,30)(H,25,27,28);3-12H,22H2,1-2H3,(H,23,24,25);2-6,8-12H,7,22H2,1H3,(H,23,24,25)/b;;;;6-3+;;;;;
InChIKeySGBHRDZOWAQXQJ-ZMMXEGOFSA-N
XLogP52.51
TPSA863.54 Ų
H-Bond Donors20
H-Bond Acceptors58
Rotatable Bonds48
Heavy Atoms331
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004404.99
LogP ≤ 552.51
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1058

Analyze 3-[2-(3-aminoanilino)quinazolin-6-yl]-1,4-dimethylpyridin-2-one;2-[2-(3-aminoanilino)quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one;3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1-(4-piperidin-1-ylphenyl)pyridin-2-one;3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one;N-[3-[[6-(1,4-dimethyl-2-oxo-3-pyridinyl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;(E)-N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]propanamide;N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-methyl-2-oxo-1-(4-piperidin-1-ylphenyl)-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide with MolForge

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Related Compounds

N-[3-[[6-[4-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide
CID 162699483
2-[2-[3-(ethylamino)anilino]quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one
CID 163516568
N-[2-(2-methoxyethoxy)-5-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]prop-2-enamide
CID 163546052
N-ethyl-N-[2-methyl-5-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]prop-2-enamide
CID 163557184
N-(2-methoxyethyl)-N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]prop-2-enamide
CID 163557186
N-[3-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]prop-2-enamide
CID 122475454
3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one;(E)-6-bromo-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]hex-4-enamide;(E)-4-(dimethylamino)-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-methylmethanamine
CID 163594756
N-[3-[[2-[4-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-difluoromethyl]phenyl]but-2-enamide
CID 123524262
N-[3-[(Z,1Z)-1-[2-[2-fluoro-4-(4-methylpiperazin-1-yl)anilino]-5-methylidenepyrimidin-4-ylidene]but-2-enyl]phenyl]prop-2-enamide
CID 139311003
benzyl 3-[2-[3-[ethyl(prop-2-enoyl)amino]anilino]quinazolin-6-yl]-4-methyl-2-oxopyridine-1-carboxylate
CID 162699474
(E)-N-(4-piperidin-1-ylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 7922480
8-(3-aminophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-2-amine;methane;N-[3-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]phenyl]prop-2-enamide;prop-2-enoyl chloride
CID 162105137

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-aminoanilino)quinazolin-6-yl]-1,4-dimethylpyridin-2-one;2-[2-(3-aminoanilino)quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one;3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1-(4-piperidin-1-ylphenyl)pyridin-2-one;3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one;N-[3-[[6-(1,4-dimethyl-2-oxo-3-pyridinyl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;(E)-N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]propanamide;N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-methyl-2-oxo-1-(4-piperidin-1-ylphenyl)-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide?
The IUPAC name of 3-[2-(3-aminoanilino)quinazolin-6-yl]-1,4-dimethylpyridin-2-one;2-[2-(3-aminoanilino)quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one;3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1-(4-piperidin-1-ylphenyl)pyridin-2-one;3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one;N-[3-[[6-(1,4-dimethyl-2-oxo-3-pyridinyl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;(E)-N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]propanamide;N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-methyl-2-oxo-1-(4-piperidin-1-ylphenyl)-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide (CID 163959241) is 3-[2-(3-aminoanilino)quinazolin-6-yl]-1,4-dimethylpyridin-2-one;2-[2-(3-aminoanilino)quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one;3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1-(4-piperidin-1-ylphenyl)pyridin-2-one;3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one;N-[3-[[6-(1,4-dimethyl-2-oxo-3-pyridinyl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;(E)-N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]propanamide;N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-methyl-2-oxo-1-(4-piperidin-1-ylphenyl)-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide.
What is the SMILES notation for 3-[2-(3-aminoanilino)quinazolin-6-yl]-1,4-dimethylpyridin-2-one;2-[2-(3-aminoanilino)quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one;3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1-(4-piperidin-1-ylphenyl)pyridin-2-one;3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one;N-[3-[[6-(1,4-dimethyl-2-oxo-3-pyridinyl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;(E)-N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]propanamide;N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-methyl-2-oxo-1-(4-piperidin-1-ylphenyl)-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide?
The canonical SMILES for 3-[2-(3-aminoanilino)quinazolin-6-yl]-1,4-dimethylpyridin-2-one;2-[2-(3-aminoanilino)quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one;3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1-(4-piperidin-1-ylphenyl)pyridin-2-one;3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one;N-[3-[[6-(1,4-dimethyl-2-oxo-3-pyridinyl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;(E)-N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]propanamide;N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-methyl-2-oxo-1-(4-piperidin-1-ylphenyl)-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide is C/C=C/C(=O)Nc1cccc(Nc2ncc3cc(C4=C(C)C=CCC4=O)ccc3n2)c1.C=CC(=O)Nc1cccc(Nc2ncc3cc(-c4c(C)ccn(-c5ccc(N6CCCCC6)cc5)c4=O)ccc3n2)c1.C=CC(=O)Nc1cccc(Nc2ncc3cc(-c4c(C)ccn(-c5cccc(C(F)(F)F)c5)c4=O)ccc3n2)c1.C=CC(=O)Nc1cccc(Nc2ncc3cc(-c4c(C)ccn(C)c4=O)ccc3n2)c1.C=CC(=O)Nc1cccc(Nc2ncc3cc(C4=C(C)C=CCC4=O)ccc3n2)c1.CC1=C(c2ccc3nc(Nc4cccc(N)c4)ncc3c2)C(=O)CC=C1.CCC(=O)Nc1cccc(Nc2ncc3cc(C4=C(C)C=CCC4=O)ccc3n2)c1.Cc1ccn(-c2ccc(N3CCCCC3)cc2)c(=O)c1-c1ccc2nc(Nc3cccc(N)c3)ncc2c1.Cc1ccn(-c2cccc(C(F)(F)F)c2)c(=O)c1-c1ccc2nc(Nc3cccc(N)c3)ncc2c1.Cc1ccn(C)c(=O)c1-c1ccc2nc(Nc3cccc(N)c3)ncc2c1.
What is the InChIKey of 3-[2-(3-aminoanilino)quinazolin-6-yl]-1,4-dimethylpyridin-2-one;2-[2-(3-aminoanilino)quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one;3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1-(4-piperidin-1-ylphenyl)pyridin-2-one;3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one;N-[3-[[6-(1,4-dimethyl-2-oxo-3-pyridinyl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;(E)-N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]propanamide;N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-methyl-2-oxo-1-(4-piperidin-1-ylphenyl)-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide?
The InChIKey is SGBHRDZOWAQXQJ-ZMMXEGOFSA-N. The full InChI is InChI=1S/C34H32N6O2.C31H30N6O.C30H22F3N5O2.C27H20F3N5O.C25H22N4O2.C24H21N5O2.C24H22N4O2.C24H20N4O2.C21H19N5O.C21H18N4O/c1-3-31(41)36-26-8-7-9-27(21-26)37-34-35-22-25-20-24(10-15-30(25)38-34)32-23(2)16-19-40(33(32)42)29-13-11-28(12-14-29)39-17-5-4-6-18-39;1-21-14-17-37(27-11-9-26(10-12-27)36-15-3-2-4-16-36)30(38)29(21)22-8-13-28-23(18-22)20-33-31(35-28)34-25-7-5-6-24(32)19-25;1-3-26(39)35-22-7-5-8-23(16-22)36-29-34-17-20-14-19(10-11-25(20)37-29)27-18(2)12-13-38(28(27)40)24-9-4-6-21(15-24)30(31,32)33;1-16-10-11-35(22-7-2-4-19(13-22)27(28,29)30)25(36)24(16)17-8-9-23-18(12-17)15-32-26(34-23)33-21-6-3-5-20(31)14-21;1-3-6-23(31)27-19-8-5-9-20(14-19)28-25-26-15-18-13-17(11-12-21(18)29-25)24-16(2)7-4-10-22(24)30;1-4-21(30)26-18-6-5-7-19(13-18)27-24-25-14-17-12-16(8-9-20(17)28-24)22-15(2)10-11-29(3)23(22)31;2*1-3-22(30)26-18-7-5-8-19(13-18)27-24-25-14-17-12-16(10-11-20(17)28-24)23-15(2)6-4-9-21(23)29;1-13-8-9-26(2)20(27)19(13)14-6-7-18-15(10-14)12-23-21(25-18)24-17-5-3-4-16(22)11-17;1-13-4-2-7-19(26)20(13)14-8-9-18-15(10-14)12-23-21(25-18)24-17-6-3-5-16(22)11-17/h3,7-16,19-22H,1,4-6,17-18H2,2H3,(H,36,41)(H,35,37,38);5-14,17-20H,2-4,15-16,32H2,1H3,(H,33,34,35);3-17H,1H2,2H3,(H,35,39)(H,34,36,37);2-15H,31H2,1H3,(H,32,33,34);3-9,11-15H,10H2,1-2H3,(H,27,31)(H,26,28,29);4-14H,1H2,2-3H3,(H,26,30)(H,25,27,28);4-8,10-14H,3,9H2,1-2H3,(H,26,30)(H,25,27,28);3-8,10-14H,1,9H2,2H3,(H,26,30)(H,25,27,28);3-12H,22H2,1-2H3,(H,23,24,25);2-6,8-12H,7,22H2,1H3,(H,23,24,25)/b;;;;6-3+;;;;;.
What are the key properties of 3-[2-(3-aminoanilino)quinazolin-6-yl]-1,4-dimethylpyridin-2-one;2-[2-(3-aminoanilino)quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one;3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1-(4-piperidin-1-ylphenyl)pyridin-2-one;3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one;N-[3-[[6-(1,4-dimethyl-2-oxo-3-pyridinyl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;(E)-N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]propanamide;N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-methyl-2-oxo-1-(4-piperidin-1-ylphenyl)-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide?
3-[2-(3-aminoanilino)quinazolin-6-yl]-1,4-dimethylpyridin-2-one;2-[2-(3-aminoanilino)quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one;3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1-(4-piperidin-1-ylphenyl)pyridin-2-one;3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one;N-[3-[[6-(1,4-dimethyl-2-oxo-3-pyridinyl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;(E)-N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]propanamide;N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-methyl-2-oxo-1-(4-piperidin-1-ylphenyl)-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide has a molecular weight of 4404.99 g/mol, XLogP of 52.51, 48 rotatable bonds, 20 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-aminoanilino)quinazolin-6-yl]-1,4-dimethylpyridin-2-one;2-[2-(3-aminoanilino)quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one;3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1-(4-piperidin-1-ylphenyl)pyridin-2-one;3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one;N-[3-[[6-(1,4-dimethyl-2-oxo-3-pyridinyl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;(E)-N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]propanamide;N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-methyl-2-oxo-1-(4-piperidin-1-ylphenyl)-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide is sourced from PubChem (CID 163959241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).