N-cyclopropyl-4-(dimethylamino)-2-(2-hydroxyphenyl)quinazoline-6-carboxamide;2-[2-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylquinazolin-4-amine;N-[4-(dimethylamino)-2-(2-fluorophenyl)quinazolin-7-yl]-2-methylpropanamide;bis(2-[4-(dimethylamino)-6-methylquinazolin-2-yl]phenol);2-[4-(dimethylamino)-6-(trifluoromethoxy)quinazolin-2-yl]phenol

C111H113F4N21O8 — CID 160590069

IUPACN-cyclopropyl-4-(dimethylamino)-2-(2-hydroxyphenyl)quinazoline-6-carboxamide;2-[2-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylquinazolin-4-amine;N-[4-(dimethylamino)-2-(2-fluorophenyl)quinazolin-7-yl]-2-methylpropanamide;bis(2-[4-(dimethylamino)-6-methylquinazolin-2-yl]phenol);2-[4-(dimethylamino)-6-(trifluoromethoxy)quinazolin-2-yl]phenol
SMILESCC(C)C(=O)Nc1ccc2c(N(C)C)nc(-c3ccccc3F)nc2c1.CN(C)CCOc1ccccc1-c1nc(N(C)C)c2ccccc2n1.CN(C)c1nc(-c2ccccc2O)nc2ccc(C(=O)NC3CC3)cc12.CN(C)c1nc(-c2ccccc2O)nc2ccc(OC(F)(F)F)cc12.Cc1ccc2nc(-c3ccccc3O)nc(N(C)C)c2c1.Cc1ccc2nc(-c3ccccc3O)nc(N(C)C)c2c1
InChIInChI=1S/C20H21FN4O.C20H20N4O2.C20H24N4O.C17H14F3N3O2.2C17H17N3O/c1-12(2)20(26)22-13-9-10-15-17(11-13)23-18(24-19(15)25(3)4)14-7-5-6-8-16(14)21;1-24(2)19-15-11-12(20(26)21-13-8-9-13)7-10-16(15)22-18(23-19)14-5-3-4-6-17(14)25;1-23(2)13-14-25-18-12-8-6-10-16(18)19-21-17-11-7-5-9-15(17)20(22-19)24(3)4;1-23(2)16-12-9-10(25-17(18,19)20)7-8-13(12)21-15(22-16)11-5-3-4-6-14(11)24;2*1-11-8-9-14-13(10-11)17(20(2)3)19-16(18-14)12-6-4-5-7-15(12)21/h5-12H,1-4H3,(H,22,26);3-7,10-11,13,25H,8-9H2,1-2H3,(H,21,26);5-12H,13-14H2,1-4H3;3-9,24H,1-2H3;2*4-10,21H,1-3H3
InChIKeyRCWXQXIZPGVUHT-UHFFFAOYSA-N
MW1945.26 g/mol
LogP21.08
Rot. Bonds21

About N-cyclopropyl-4-(dimethylamino)-2-(2-hydroxyphenyl)quinazoline-6-carboxamide;2-[2-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylquinazolin-4-amine;N-[4-(dimethylamino)-2-(2-fluorophenyl)quinazolin-7-yl]-2-methylpropanamide;bis(2-[4-(dimethylamino)-6-methylquinazolin-2-yl]phenol);2-[4-(dimethylamino)-6-(trifluoromethoxy)quinazolin-2-yl]phenol

N-cyclopropyl-4-(dimethylamino)-2-(2-hydroxyphenyl)quinazoline-6-carboxamide;2-[2-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylquinazolin-4-amine;N-[4-(dimethylamino)-2-(2-fluorophenyl)quinazolin-7-yl]-2-methylpropanamide;bis(2-[4-(dimethylamino)-6-methylquinazolin-2-yl]phenol);2-[4-(dimethylamino)-6-(trifluoromethoxy)quinazolin-2-yl]phenol (PubChem CID 160590069) has the molecular formula C111H113F4N21O8 and a molecular weight of 1945.26 g/mol. Its IUPAC name is N-cyclopropyl-4-(dimethylamino)-2-(2-hydroxyphenyl)quinazoline-6-carboxamide;2-[2-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylquinazolin-4-amine;N-[4-(dimethylamino)-2-(2-fluorophenyl)quinazolin-7-yl]-2-methylpropanamide;bis(2-[4-(dimethylamino)-6-methylquinazolin-2-yl]phenol);2-[4-(dimethylamino)-6-(trifluoromethoxy)quinazolin-2-yl]phenol.

Molecular Properties

Compound NameN-cyclopropyl-4-(dimethylamino)-2-(2-hydroxyphenyl)quinazoline-6-carboxamide;2-[2-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylquinazolin-4-amine;N-[4-(dimethylamino)-2-(2-fluorophenyl)quinazolin-7-yl]-2-methylpropanamide;bis(2-[4-(dimethylamino)-6-methylquinazolin-2-yl]phenol);2-[4-(dimethylamino)-6-(trifluoromethoxy)quinazolin-2-yl]phenol
PubChem CID160590069
Molecular FormulaC111H113F4N21O8
Molecular Weight1945.26 g/mol
Exact Mass1943.90
IUPAC NameN-cyclopropyl-4-(dimethylamino)-2-(2-hydroxyphenyl)quinazoline-6-carboxamide;2-[2-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylquinazolin-4-amine;N-[4-(dimethylamino)-2-(2-fluorophenyl)quinazolin-7-yl]-2-methylpropanamide;bis(2-[4-(dimethylamino)-6-methylquinazolin-2-yl]phenol);2-[4-(dimethylamino)-6-(trifluoromethoxy)quinazolin-2-yl]phenol
SMILESCC(C)C(=O)Nc1ccc2c(N(C)C)nc(-c3ccccc3F)nc2c1.CN(C)CCOc1ccccc1-c1nc(N(C)C)c2ccccc2n1.CN(C)c1nc(-c2ccccc2O)nc2ccc(C(=O)NC3CC3)cc12.CN(C)c1nc(-c2ccccc2O)nc2ccc(OC(F)(F)F)cc12.Cc1ccc2nc(-c3ccccc3O)nc(N(C)C)c2c1.Cc1ccc2nc(-c3ccccc3O)nc(N(C)C)c2c1
InChIInChI=1S/C20H21FN4O.C20H20N4O2.C20H24N4O.C17H14F3N3O2.2C17H17N3O/c1-12(2)20(26)22-13-9-10-15-17(11-13)23-18(24-19(15)25(3)4)14-7-5-6-8-16(14)21;1-24(2)19-15-11-12(20(26)21-13-8-9-13)7-10-16(15)22-18(23-19)14-5-3-4-6-17(14)25;1-23(2)13-14-25-18-12-8-6-10-16(18)19-21-17-11-7-5-9-15(17)20(22-19)24(3)4;1-23(2)16-12-9-10(25-17(18,19)20)7-8-13(12)21-15(22-16)11-5-3-4-6-14(11)24;2*1-11-8-9-14-13(10-11)17(20(2)3)19-16(18-14)12-6-4-5-7-15(12)21/h5-12H,1-4H3,(H,22,26);3-7,10-11,13,25H,8-9H2,1-2H3,(H,21,26);5-12H,13-14H2,1-4H3;3-9,24H,1-2H3;2*4-10,21H,1-3H3
InChIKeyRCWXQXIZPGVUHT-UHFFFAOYSA-N
XLogP21.08
TPSA334.94 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds21
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001945.26
LogP ≤ 521.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Analyze N-cyclopropyl-4-(dimethylamino)-2-(2-hydroxyphenyl)quinazoline-6-carboxamide;2-[2-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylquinazolin-4-amine;N-[4-(dimethylamino)-2-(2-fluorophenyl)quinazolin-7-yl]-2-methylpropanamide;bis(2-[4-(dimethylamino)-6-methylquinazolin-2-yl]phenol);2-[4-(dimethylamino)-6-(trifluoromethoxy)quinazolin-2-yl]phenol with MolForge

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Related Compounds

6-[2-(1-adamantyl)-2-oxoethyl]-N-hydroxy-8-methyl-4-(trifluoromethyl)quinoline-3-carboxamide;6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxy-4-(trifluoromethyl)quinoline-3-carboxamide;6-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-N-hydroxy-4-(trifluoromethyl)quinoline-3-carboxamide;6-[3-[2-(dimethylamino)ethoxy]phenyl]-N-hydroxy-4-(trifluoromethyl)quinoline-3-carboxamide;N-hydroxy-6-pyridin-4-yloxy-4-(trifluoromethyl)quinoline-3-carboxamide;N-hydroxy-6-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)quinoline-3-carboxamide
CID 157453507
2-[3-[8-cyclopropyl-2-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrimido[4,5-d]pyrimidin-6-yl]-4-methylphenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-[3-[8-ethyl-2-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrimido[4,5-d]pyrimidin-6-yl]-4-methylphenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;N-[3-[2-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)anilino]-8-methyl-5,7-dihydropyrimido[4,5-d]pyrimidin-6-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[8-methyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-5,7-dihydropyrimido[4,5-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[8-methyl-2-[(6-morpholin-4-yl-3-pyridinyl)amino]-5,7-dihydropyrimido[4,5-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 160260495
tert-butyl 4-(2-methoxyphenyl)piperidine-1-carboxylate;2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methylquinazolin-6-amine;2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[1-[2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]quinazolin-4-yl]piperidin-4-yl]phenol;2-fluoroethanol;2-fluoroethyl trifluoromethanesulfonate;2-piperidin-4-ylphenol
CID 160501916
3-[(1R)-1-[[6-[4-[4-[2-[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-fluorobenzoyl]piperidin-4-yl]methoxy]ethyl]piperidine-1-carbonyl]cyclohexyl]-7-methoxy-2-methylquinazolin-4-yl]amino]ethyl]-5-(trifluoromethyl)benzoic acid
CID 174206897
CID 158038481
CID 158038481
N-(2-acetyl-3,5-difluorophenyl)acetamide;1-(2-amino-4,6-difluorophenyl)ethanone;5,7-difluoro-2,4-dimethylquinazoline;4-[2,4-dimethyl-5-[(4-methylphenyl)methoxy]quinazolin-7-yl]morpholine;4-[2,4-dimethyl-5-[4-[(2-methylpyrimidin-4-yl)methyl]cyclohexyl]oxyquinazolin-7-yl]morpholine;2,4-dimethyl-7-morpholin-4-ylquinazolin-5-ol;1-ethyl-4-methoxybenzene;7-fluoro-2,4-dimethyl-5-[(4-methylphenyl)methoxy]quinazoline;1-(2,4,6-trifluorophenyl)ethanone
CID 158577554
6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(3-methyl-4-oxoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide
CID 160970907
CID 161257240
CID 161257240
N-benzyl-4-(dimethylamino)-2-(2-hydroxyphenyl)quinazoline-7-carboxamide;4-(dimethylamino)-2-(2-hydroxyphenyl)quinazoline-6-carboxylic acid;1-[4-(dimethylamino)-2-(2-methoxyphenyl)quinazolin-6-yl]butan-1-ol;2-[4-(dimethylamino)-6-propan-2-yloxyquinazolin-2-yl]phenol;7-fluoro-2-(2-fluorophenyl)-N,N-dimethylquinazolin-4-amine
CID 161587363
N-butyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;N-cyclopentyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(4-methoxyphenyl)quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzamide
CID 161593098
2-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-ylamino)quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one;N-ethyl-2-fluoro-N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-ethyl-N-[2-fluoro-5-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-ethyl-N-[2-methoxy-5-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-ethyl-N-[2-methyl-5-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-(2-methoxyethyl)-N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;N-[2-methoxy-5-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]prop-2-enamide;3-methyl-2-[2-[(4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazin-6-yl)amino]quinazolin-6-yl]cyclohexa-2,4-dien-1-one
CID 163557178

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(dimethylamino)-2-(2-hydroxyphenyl)quinazoline-6-carboxamide;2-[2-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylquinazolin-4-amine;N-[4-(dimethylamino)-2-(2-fluorophenyl)quinazolin-7-yl]-2-methylpropanamide;bis(2-[4-(dimethylamino)-6-methylquinazolin-2-yl]phenol);2-[4-(dimethylamino)-6-(trifluoromethoxy)quinazolin-2-yl]phenol?
The IUPAC name of N-cyclopropyl-4-(dimethylamino)-2-(2-hydroxyphenyl)quinazoline-6-carboxamide;2-[2-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylquinazolin-4-amine;N-[4-(dimethylamino)-2-(2-fluorophenyl)quinazolin-7-yl]-2-methylpropanamide;bis(2-[4-(dimethylamino)-6-methylquinazolin-2-yl]phenol);2-[4-(dimethylamino)-6-(trifluoromethoxy)quinazolin-2-yl]phenol (CID 160590069) is N-cyclopropyl-4-(dimethylamino)-2-(2-hydroxyphenyl)quinazoline-6-carboxamide;2-[2-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylquinazolin-4-amine;N-[4-(dimethylamino)-2-(2-fluorophenyl)quinazolin-7-yl]-2-methylpropanamide;bis(2-[4-(dimethylamino)-6-methylquinazolin-2-yl]phenol);2-[4-(dimethylamino)-6-(trifluoromethoxy)quinazolin-2-yl]phenol.
What is the SMILES notation for N-cyclopropyl-4-(dimethylamino)-2-(2-hydroxyphenyl)quinazoline-6-carboxamide;2-[2-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylquinazolin-4-amine;N-[4-(dimethylamino)-2-(2-fluorophenyl)quinazolin-7-yl]-2-methylpropanamide;bis(2-[4-(dimethylamino)-6-methylquinazolin-2-yl]phenol);2-[4-(dimethylamino)-6-(trifluoromethoxy)quinazolin-2-yl]phenol?
The canonical SMILES for N-cyclopropyl-4-(dimethylamino)-2-(2-hydroxyphenyl)quinazoline-6-carboxamide;2-[2-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylquinazolin-4-amine;N-[4-(dimethylamino)-2-(2-fluorophenyl)quinazolin-7-yl]-2-methylpropanamide;bis(2-[4-(dimethylamino)-6-methylquinazolin-2-yl]phenol);2-[4-(dimethylamino)-6-(trifluoromethoxy)quinazolin-2-yl]phenol is CC(C)C(=O)Nc1ccc2c(N(C)C)nc(-c3ccccc3F)nc2c1.CN(C)CCOc1ccccc1-c1nc(N(C)C)c2ccccc2n1.CN(C)c1nc(-c2ccccc2O)nc2ccc(C(=O)NC3CC3)cc12.CN(C)c1nc(-c2ccccc2O)nc2ccc(OC(F)(F)F)cc12.Cc1ccc2nc(-c3ccccc3O)nc(N(C)C)c2c1.Cc1ccc2nc(-c3ccccc3O)nc(N(C)C)c2c1.
What is the InChIKey of N-cyclopropyl-4-(dimethylamino)-2-(2-hydroxyphenyl)quinazoline-6-carboxamide;2-[2-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylquinazolin-4-amine;N-[4-(dimethylamino)-2-(2-fluorophenyl)quinazolin-7-yl]-2-methylpropanamide;bis(2-[4-(dimethylamino)-6-methylquinazolin-2-yl]phenol);2-[4-(dimethylamino)-6-(trifluoromethoxy)quinazolin-2-yl]phenol?
The InChIKey is RCWXQXIZPGVUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O.C20H20N4O2.C20H24N4O.C17H14F3N3O2.2C17H17N3O/c1-12(2)20(26)22-13-9-10-15-17(11-13)23-18(24-19(15)25(3)4)14-7-5-6-8-16(14)21;1-24(2)19-15-11-12(20(26)21-13-8-9-13)7-10-16(15)22-18(23-19)14-5-3-4-6-17(14)25;1-23(2)13-14-25-18-12-8-6-10-16(18)19-21-17-11-7-5-9-15(17)20(22-19)24(3)4;1-23(2)16-12-9-10(25-17(18,19)20)7-8-13(12)21-15(22-16)11-5-3-4-6-14(11)24;2*1-11-8-9-14-13(10-11)17(20(2)3)19-16(18-14)12-6-4-5-7-15(12)21/h5-12H,1-4H3,(H,22,26);3-7,10-11,13,25H,8-9H2,1-2H3,(H,21,26);5-12H,13-14H2,1-4H3;3-9,24H,1-2H3;2*4-10,21H,1-3H3.
What are the key properties of N-cyclopropyl-4-(dimethylamino)-2-(2-hydroxyphenyl)quinazoline-6-carboxamide;2-[2-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylquinazolin-4-amine;N-[4-(dimethylamino)-2-(2-fluorophenyl)quinazolin-7-yl]-2-methylpropanamide;bis(2-[4-(dimethylamino)-6-methylquinazolin-2-yl]phenol);2-[4-(dimethylamino)-6-(trifluoromethoxy)quinazolin-2-yl]phenol?
N-cyclopropyl-4-(dimethylamino)-2-(2-hydroxyphenyl)quinazoline-6-carboxamide;2-[2-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylquinazolin-4-amine;N-[4-(dimethylamino)-2-(2-fluorophenyl)quinazolin-7-yl]-2-methylpropanamide;bis(2-[4-(dimethylamino)-6-methylquinazolin-2-yl]phenol);2-[4-(dimethylamino)-6-(trifluoromethoxy)quinazolin-2-yl]phenol has a molecular weight of 1945.26 g/mol, XLogP of 21.08, 21 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(dimethylamino)-2-(2-hydroxyphenyl)quinazoline-6-carboxamide;2-[2-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylquinazolin-4-amine;N-[4-(dimethylamino)-2-(2-fluorophenyl)quinazolin-7-yl]-2-methylpropanamide;bis(2-[4-(dimethylamino)-6-methylquinazolin-2-yl]phenol);2-[4-(dimethylamino)-6-(trifluoromethoxy)quinazolin-2-yl]phenol is sourced from PubChem (CID 160590069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).