N-(2-chloro-6-fluorophenyl)-6-methoxy-2-phenylquinazolin-4-amine;N-(2-chloro-5-methoxyphenyl)-6-methoxy-2-phenylquinazolin-4-amine;N-(2-chloro-4-methylphenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;N-(3,3-difluorobutyl)-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide;N-(3,4-dimethylphenyl)-6-methoxy-2-phenylquinazolin-4-amine;methane

C113H98Cl3F3N18O7 — CID 157278480

IUPACN-(2-chloro-6-fluorophenyl)-6-methoxy-2-phenylquinazolin-4-amine;N-(2-chloro-5-methoxyphenyl)-6-methoxy-2-phenylquinazolin-4-amine;N-(2-chloro-4-methylphenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;N-(3,3-difluorobutyl)-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide;N-(3,4-dimethylphenyl)-6-methoxy-2-phenylquinazolin-4-amine;methane
SMILESC.COc1ccc(Cl)c(Nc2nc(-c3ccccc3)nc3ccc(OC)cc23)c1.COc1ccc2nc(-c3ccccc3)nc(Nc3c(F)cccc3Cl)c2c1.COc1ccc2nc(-c3ccccc3)nc(Nc3ccc(C)c(C)c3)c2c1.COc1ccc2nc(-c3cccnc3)nc(Nc3ccc(C)cc3Cl)c2c1.COc1ccc2nc(-c3cccnc3)nc(Nc3ccccc3C(=O)NCCC(C)(F)F)c2c1
InChIInChI=1S/C25H23F2N5O2.C23H21N3O.C22H18ClN3O2.C21H15ClFN3O.C21H17ClN4O.CH4/c1-25(26,27)11-13-29-24(33)18-7-3-4-8-20(18)31-23-19-14-17(34-2)9-10-21(19)30-22(32-23)16-6-5-12-28-15-16;1-15-9-10-18(13-16(15)2)24-23-20-14-19(27-3)11-12-21(20)25-22(26-23)17-7-5-4-6-8-17;1-27-15-9-11-19-17(12-15)22(25-20-13-16(28-2)8-10-18(20)23)26-21(24-19)14-6-4-3-5-7-14;1-27-14-10-11-18-15(12-14)21(25-19-16(22)8-5-9-17(19)23)26-20(24-18)13-6-3-2-4-7-13;1-13-5-7-19(17(22)10-13)25-21-16-11-15(27-2)6-8-18(16)24-20(26-21)14-4-3-9-23-12-14;/h3-10,12,14-15H,11,13H2,1-2H3,(H,29,33)(H,30,31,32);4-14H,1-3H3,(H,24,25,26);3-13H,1-2H3,(H,24,25,26);2-12H,1H3,(H,24,25,26);3-12H,1-2H3,(H,24,25,26);1H4
InChIKeyAZJOGTQDUZSTJN-UHFFFAOYSA-N
MW1983.50 g/mol
LogP28.48
Rot. Bonds25

About N-(2-chloro-6-fluorophenyl)-6-methoxy-2-phenylquinazolin-4-amine;N-(2-chloro-5-methoxyphenyl)-6-methoxy-2-phenylquinazolin-4-amine;N-(2-chloro-4-methylphenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;N-(3,3-difluorobutyl)-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide;N-(3,4-dimethylphenyl)-6-methoxy-2-phenylquinazolin-4-amine;methane

N-(2-chloro-6-fluorophenyl)-6-methoxy-2-phenylquinazolin-4-amine;N-(2-chloro-5-methoxyphenyl)-6-methoxy-2-phenylquinazolin-4-amine;N-(2-chloro-4-methylphenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;N-(3,3-difluorobutyl)-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide;N-(3,4-dimethylphenyl)-6-methoxy-2-phenylquinazolin-4-amine;methane (PubChem CID 157278480) has the molecular formula C113H98Cl3F3N18O7 and a molecular weight of 1983.50 g/mol. Its IUPAC name is N-(2-chloro-6-fluorophenyl)-6-methoxy-2-phenylquinazolin-4-amine;N-(2-chloro-5-methoxyphenyl)-6-methoxy-2-phenylquinazolin-4-amine;N-(2-chloro-4-methylphenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;N-(3,3-difluorobutyl)-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide;N-(3,4-dimethylphenyl)-6-methoxy-2-phenylquinazolin-4-amine;methane.

Molecular Properties

Compound NameN-(2-chloro-6-fluorophenyl)-6-methoxy-2-phenylquinazolin-4-amine;N-(2-chloro-5-methoxyphenyl)-6-methoxy-2-phenylquinazolin-4-amine;N-(2-chloro-4-methylphenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;N-(3,3-difluorobutyl)-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide;N-(3,4-dimethylphenyl)-6-methoxy-2-phenylquinazolin-4-amine;methane
PubChem CID157278480
Molecular FormulaC113H98Cl3F3N18O7
Molecular Weight1983.50 g/mol
Exact Mass1980.69
IUPAC NameN-(2-chloro-6-fluorophenyl)-6-methoxy-2-phenylquinazolin-4-amine;N-(2-chloro-5-methoxyphenyl)-6-methoxy-2-phenylquinazolin-4-amine;N-(2-chloro-4-methylphenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;N-(3,3-difluorobutyl)-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide;N-(3,4-dimethylphenyl)-6-methoxy-2-phenylquinazolin-4-amine;methane
SMILESC.COc1ccc(Cl)c(Nc2nc(-c3ccccc3)nc3ccc(OC)cc23)c1.COc1ccc2nc(-c3ccccc3)nc(Nc3c(F)cccc3Cl)c2c1.COc1ccc2nc(-c3ccccc3)nc(Nc3ccc(C)c(C)c3)c2c1.COc1ccc2nc(-c3cccnc3)nc(Nc3ccc(C)cc3Cl)c2c1.COc1ccc2nc(-c3cccnc3)nc(Nc3ccccc3C(=O)NCCC(C)(F)F)c2c1
InChIInChI=1S/C25H23F2N5O2.C23H21N3O.C22H18ClN3O2.C21H15ClFN3O.C21H17ClN4O.CH4/c1-25(26,27)11-13-29-24(33)18-7-3-4-8-20(18)31-23-19-14-17(34-2)9-10-21(19)30-22(32-23)16-6-5-12-28-15-16;1-15-9-10-18(13-16(15)2)24-23-20-14-19(27-3)11-12-21(20)25-22(26-23)17-7-5-4-6-8-17;1-27-15-9-11-19-17(12-15)22(25-20-13-16(28-2)8-10-18(20)23)26-21(24-19)14-6-4-3-5-7-14;1-27-14-10-11-18-15(12-14)21(25-19-16(22)8-5-9-17(19)23)26-20(24-18)13-6-3-2-4-7-13;1-13-5-7-19(17(22)10-13)25-21-16-11-15(27-2)6-8-18(16)24-20(26-21)14-4-3-9-23-12-14;/h3-10,12,14-15H,11,13H2,1-2H3,(H,29,33)(H,30,31,32);4-14H,1-3H3,(H,24,25,26);3-13H,1-2H3,(H,24,25,26);2-12H,1H3,(H,24,25,26);3-12H,1-2H3,(H,24,25,26);1H4
InChIKeyAZJOGTQDUZSTJN-UHFFFAOYSA-N
XLogP28.48
TPSA299.31 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds25
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001983.50
LogP ≤ 528.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze N-(2-chloro-6-fluorophenyl)-6-methoxy-2-phenylquinazolin-4-amine;N-(2-chloro-5-methoxyphenyl)-6-methoxy-2-phenylquinazolin-4-amine;N-(2-chloro-4-methylphenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;N-(3,3-difluorobutyl)-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide;N-(3,4-dimethylphenyl)-6-methoxy-2-phenylquinazolin-4-amine;methane with MolForge

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Related Compounds

2-[[3-[5-[3-Chloro-2-fluoro-5-[[6-methoxy-2-(2-methyl-3-pyridinyl)quinazolin-4-yl]amino]phenyl]-2-methyl-3-pyridinyl]-7-methoxyisoquinolin-1-yl]amino]benzamide
CID 123958557
4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]-N-[4-[[4-[[3-[2-(6,7-dimethoxyquinazolin-4-yl)ethynyl]-2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]methyl]piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-5-methylpyridine-2-carboxamide
CID 134276736
4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]-5-methylpyridine-2-carbaldehyde;3-[2-(6,7-dimethoxyquinazolin-4-yl)ethynyl]-4-methylbenzaldehyde;bis(N-methyl-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline)
CID 142291191
4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide;3-[2-(6,7-dimethoxyquinazolin-4-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 142291242
2-[[2-[5-[3-Chloro-2-fluoro-5-[[6-methoxy-2-(2-methyl-3-pyridinyl)quinazolin-4-yl]amino]phenyl]-2-methyl-3-pyridinyl]-6-methoxyquinazolin-4-yl]amino]benzamide
CID 144500683
2-[[2-[5-[Fluoro-[3-[[6-methoxy-2-(6-methyl-3-pyridinyl)quinazolin-4-yl]amino]phenoxy]methyl]-6-methyl-3-pyridinyl]-6-methoxyquinazolin-4-yl]amino]benzamide
CID 144501410
4-(2,6-dichloro-N-methylanilino)-N-[7-(methylamino)-7-oxoheptyl]benzamide;4-[di(pyrimidin-2-yl)amino]-N-[7-(methylamino)-7-oxoheptyl]benzamide;4-[di(pyrimidin-2-yl)amino]-N-(8-oxodecyl)benzamide;4-(4-methoxy-N-(4-methoxyphenyl)anilino)-N-[7-(methylamino)-7-oxoheptyl]benzamide;N-[7-(methylamino)-7-oxoheptyl]-2-(N-methylanilino)pyrimidine-5-carboxamide;N-[7-(methylamino)-7-oxoheptyl]-4-[N-methyl-2,6-di(propan-2-yl)anilino]benzamide;N-[7-(methylamino)-7-oxoheptyl]-4-[N-methyl-2-(trifluoromethyl)anilino]benzamide;N-[7-(methylamino)-7-oxoheptyl]-4-(N-phenylanilino)benzamide
CID 157406753
3-(2-chloro-6-methylphenyl)-7-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-7-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1-propan-2-yl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-1-methyl-7-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-chloro-6-methylphenyl)-7-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1-propan-2-yl-4H-pyrimido[4,5-d]pyrimidin-2-one;N-[4-methyl-3-[1-methyl-7-[(6-methyl-3-pyridinyl)amino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 158876007
CID 159027203
CID 159027203
3-(2-chloro-6-methylphenyl)-7-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1-propan-2-yl-4H-pyrimido[4,5-d]pyrimidin-2-one;3-methyl-N-[4-methyl-3-[1-methyl-7-[4-(4-methylpiperazin-1-yl)anilino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]benzamide;N-[4-methyl-3-[1-methyl-7-[(6-methyl-3-pyridinyl)amino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 159081220
N-methyl-4-[3-(methylcarbamoyl)anilino]-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide;N-methyl-4-(2-methyl-6-methylchloranuidylanilino)-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide;N-methyl-6-[(5-methyl-2-pyridinyl)amino]-4-(3-propan-2-ylanilino)pyridine-3-carboxamide;N-methyl-6-[(5-methyl-2-pyridinyl)amino]-4-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide
CID 159760708
3-(2-chloro-6-methylphenyl)-7-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1-propan-2-yl-4H-pyrimido[4,5-d]pyrimidin-2-one;N-[4-methyl-3-[1-methyl-7-[(6-methyl-3-pyridinyl)amino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 160434856

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-fluorophenyl)-6-methoxy-2-phenylquinazolin-4-amine;N-(2-chloro-5-methoxyphenyl)-6-methoxy-2-phenylquinazolin-4-amine;N-(2-chloro-4-methylphenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;N-(3,3-difluorobutyl)-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide;N-(3,4-dimethylphenyl)-6-methoxy-2-phenylquinazolin-4-amine;methane?
The IUPAC name of N-(2-chloro-6-fluorophenyl)-6-methoxy-2-phenylquinazolin-4-amine;N-(2-chloro-5-methoxyphenyl)-6-methoxy-2-phenylquinazolin-4-amine;N-(2-chloro-4-methylphenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;N-(3,3-difluorobutyl)-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide;N-(3,4-dimethylphenyl)-6-methoxy-2-phenylquinazolin-4-amine;methane (CID 157278480) is N-(2-chloro-6-fluorophenyl)-6-methoxy-2-phenylquinazolin-4-amine;N-(2-chloro-5-methoxyphenyl)-6-methoxy-2-phenylquinazolin-4-amine;N-(2-chloro-4-methylphenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;N-(3,3-difluorobutyl)-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide;N-(3,4-dimethylphenyl)-6-methoxy-2-phenylquinazolin-4-amine;methane.
What is the SMILES notation for N-(2-chloro-6-fluorophenyl)-6-methoxy-2-phenylquinazolin-4-amine;N-(2-chloro-5-methoxyphenyl)-6-methoxy-2-phenylquinazolin-4-amine;N-(2-chloro-4-methylphenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;N-(3,3-difluorobutyl)-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide;N-(3,4-dimethylphenyl)-6-methoxy-2-phenylquinazolin-4-amine;methane?
The canonical SMILES for N-(2-chloro-6-fluorophenyl)-6-methoxy-2-phenylquinazolin-4-amine;N-(2-chloro-5-methoxyphenyl)-6-methoxy-2-phenylquinazolin-4-amine;N-(2-chloro-4-methylphenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;N-(3,3-difluorobutyl)-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide;N-(3,4-dimethylphenyl)-6-methoxy-2-phenylquinazolin-4-amine;methane is C.COc1ccc(Cl)c(Nc2nc(-c3ccccc3)nc3ccc(OC)cc23)c1.COc1ccc2nc(-c3ccccc3)nc(Nc3c(F)cccc3Cl)c2c1.COc1ccc2nc(-c3ccccc3)nc(Nc3ccc(C)c(C)c3)c2c1.COc1ccc2nc(-c3cccnc3)nc(Nc3ccc(C)cc3Cl)c2c1.COc1ccc2nc(-c3cccnc3)nc(Nc3ccccc3C(=O)NCCC(C)(F)F)c2c1.
What is the InChIKey of N-(2-chloro-6-fluorophenyl)-6-methoxy-2-phenylquinazolin-4-amine;N-(2-chloro-5-methoxyphenyl)-6-methoxy-2-phenylquinazolin-4-amine;N-(2-chloro-4-methylphenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;N-(3,3-difluorobutyl)-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide;N-(3,4-dimethylphenyl)-6-methoxy-2-phenylquinazolin-4-amine;methane?
The InChIKey is AZJOGTQDUZSTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O2.C23H21N3O.C22H18ClN3O2.C21H15ClFN3O.C21H17ClN4O.CH4/c1-25(26,27)11-13-29-24(33)18-7-3-4-8-20(18)31-23-19-14-17(34-2)9-10-21(19)30-22(32-23)16-6-5-12-28-15-16;1-15-9-10-18(13-16(15)2)24-23-20-14-19(27-3)11-12-21(20)25-22(26-23)17-7-5-4-6-8-17;1-27-15-9-11-19-17(12-15)22(25-20-13-16(28-2)8-10-18(20)23)26-21(24-19)14-6-4-3-5-7-14;1-27-14-10-11-18-15(12-14)21(25-19-16(22)8-5-9-17(19)23)26-20(24-18)13-6-3-2-4-7-13;1-13-5-7-19(17(22)10-13)25-21-16-11-15(27-2)6-8-18(16)24-20(26-21)14-4-3-9-23-12-14;/h3-10,12,14-15H,11,13H2,1-2H3,(H,29,33)(H,30,31,32);4-14H,1-3H3,(H,24,25,26);3-13H,1-2H3,(H,24,25,26);2-12H,1H3,(H,24,25,26);3-12H,1-2H3,(H,24,25,26);1H4.
What are the key properties of N-(2-chloro-6-fluorophenyl)-6-methoxy-2-phenylquinazolin-4-amine;N-(2-chloro-5-methoxyphenyl)-6-methoxy-2-phenylquinazolin-4-amine;N-(2-chloro-4-methylphenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;N-(3,3-difluorobutyl)-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide;N-(3,4-dimethylphenyl)-6-methoxy-2-phenylquinazolin-4-amine;methane?
N-(2-chloro-6-fluorophenyl)-6-methoxy-2-phenylquinazolin-4-amine;N-(2-chloro-5-methoxyphenyl)-6-methoxy-2-phenylquinazolin-4-amine;N-(2-chloro-4-methylphenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;N-(3,3-difluorobutyl)-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide;N-(3,4-dimethylphenyl)-6-methoxy-2-phenylquinazolin-4-amine;methane has a molecular weight of 1983.50 g/mol, XLogP of 28.48, 25 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-fluorophenyl)-6-methoxy-2-phenylquinazolin-4-amine;N-(2-chloro-5-methoxyphenyl)-6-methoxy-2-phenylquinazolin-4-amine;N-(2-chloro-4-methylphenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine;N-(3,3-difluorobutyl)-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide;N-(3,4-dimethylphenyl)-6-methoxy-2-phenylquinazolin-4-amine;methane is sourced from PubChem (CID 157278480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).