bis(N-(4-benzylphenyl)-6,7-dimethylquinazolin-4-amine);6,7-dimethyl-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-[4-(2-methylphenoxy)phenyl]quinazolin-4-amine;6,7-dimethyl-N-(4-phenoxynaphthalen-1-yl)quinazolin-4-amine;6,7-dimethyl-N-(4-phenoxyphenyl)quinolin-4-amine;6,7-dimethyl-N-(4-phenylsulfanylphenyl)quinazolin-4-amine

C163H144N20O4S — CID 157159071

IUPACbis(N-(4-benzylphenyl)-6,7-dimethylquinazolin-4-amine);6,7-dimethyl-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-[4-(2-methylphenoxy)phenyl]quinazolin-4-amine;6,7-dimethyl-N-(4-phenoxynaphthalen-1-yl)quinazolin-4-amine;6,7-dimethyl-N-(4-phenoxyphenyl)quinolin-4-amine;6,7-dimethyl-N-(4-phenylsulfanylphenyl)quinazolin-4-amine
SMILESCc1cc2nccc(Nc3ccc(Oc4ccccc4)cc3)c2cc1C.Cc1cc2ncnc(Nc3ccc(Cc4ccccc4)cc3)c2cc1C.Cc1cc2ncnc(Nc3ccc(Cc4ccccc4)cc3)c2cc1C.Cc1cc2ncnc(Nc3ccc(Oc4ccccc4)c4ccccc34)c2cc1C.Cc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3C)c2cc1C.Cc1cc2ncnc(Nc3ccc(Oc4ccccc4C)cc3)c2cc1C.Cc1cc2ncnc(Nc3ccc(Sc4ccccc4)cc3)c2cc1C
InChIInChI=1S/C26H21N3O.2C23H21N3O.2C23H21N3.C23H20N2O.C22H19N3S/c1-17-14-22-24(15-18(17)2)27-16-28-26(22)29-23-12-13-25(21-11-7-6-10-20(21)23)30-19-8-4-3-5-9-19;1-15-6-4-5-7-22(15)27-19-10-8-18(9-11-19)26-23-20-12-16(2)17(3)13-21(20)24-14-25-23;1-15-12-20-22(13-16(15)2)24-14-25-23(20)26-21-10-9-19(11-17(21)3)27-18-7-5-4-6-8-18;2*1-16-12-21-22(13-17(16)2)24-15-25-23(21)26-20-10-8-19(9-11-20)14-18-6-4-3-5-7-18;1-16-14-21-22(12-13-24-23(21)15-17(16)2)25-18-8-10-20(11-9-18)26-19-6-4-3-5-7-19;1-15-12-20-21(13-16(15)2)23-14-24-22(20)25-17-8-10-19(11-9-17)26-18-6-4-3-5-7-18/h3-16H,1-2H3,(H,27,28,29);2*4-14H,1-3H3,(H,24,25,26);2*3-13,15H,14H2,1-2H3,(H,24,25,26);3-15H,1-2H3,(H,24,25);3-14H,1-2H3,(H,23,24,25)
InChIKeyAMDSZVMUOIRSFL-UHFFFAOYSA-N
MW2479.15 g/mol
LogP42.81
Rot. Bonds28

About bis(N-(4-benzylphenyl)-6,7-dimethylquinazolin-4-amine);6,7-dimethyl-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-[4-(2-methylphenoxy)phenyl]quinazolin-4-amine;6,7-dimethyl-N-(4-phenoxynaphthalen-1-yl)quinazolin-4-amine;6,7-dimethyl-N-(4-phenoxyphenyl)quinolin-4-amine;6,7-dimethyl-N-(4-phenylsulfanylphenyl)quinazolin-4-amine

bis(N-(4-benzylphenyl)-6,7-dimethylquinazolin-4-amine);6,7-dimethyl-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-[4-(2-methylphenoxy)phenyl]quinazolin-4-amine;6,7-dimethyl-N-(4-phenoxynaphthalen-1-yl)quinazolin-4-amine;6,7-dimethyl-N-(4-phenoxyphenyl)quinolin-4-amine;6,7-dimethyl-N-(4-phenylsulfanylphenyl)quinazolin-4-amine (PubChem CID 157159071) has the molecular formula C163H144N20O4S and a molecular weight of 2479.15 g/mol. Its IUPAC name is bis(N-(4-benzylphenyl)-6,7-dimethylquinazolin-4-amine);6,7-dimethyl-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-[4-(2-methylphenoxy)phenyl]quinazolin-4-amine;6,7-dimethyl-N-(4-phenoxynaphthalen-1-yl)quinazolin-4-amine;6,7-dimethyl-N-(4-phenoxyphenyl)quinolin-4-amine;6,7-dimethyl-N-(4-phenylsulfanylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Namebis(N-(4-benzylphenyl)-6,7-dimethylquinazolin-4-amine);6,7-dimethyl-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-[4-(2-methylphenoxy)phenyl]quinazolin-4-amine;6,7-dimethyl-N-(4-phenoxynaphthalen-1-yl)quinazolin-4-amine;6,7-dimethyl-N-(4-phenoxyphenyl)quinolin-4-amine;6,7-dimethyl-N-(4-phenylsulfanylphenyl)quinazolin-4-amine
PubChem CID157159071
Molecular FormulaC163H144N20O4S
Molecular Weight2479.15 g/mol
Exact Mass2477.14
IUPAC Namebis(N-(4-benzylphenyl)-6,7-dimethylquinazolin-4-amine);6,7-dimethyl-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-[4-(2-methylphenoxy)phenyl]quinazolin-4-amine;6,7-dimethyl-N-(4-phenoxynaphthalen-1-yl)quinazolin-4-amine;6,7-dimethyl-N-(4-phenoxyphenyl)quinolin-4-amine;6,7-dimethyl-N-(4-phenylsulfanylphenyl)quinazolin-4-amine
SMILESCc1cc2nccc(Nc3ccc(Oc4ccccc4)cc3)c2cc1C.Cc1cc2ncnc(Nc3ccc(Cc4ccccc4)cc3)c2cc1C.Cc1cc2ncnc(Nc3ccc(Cc4ccccc4)cc3)c2cc1C.Cc1cc2ncnc(Nc3ccc(Oc4ccccc4)c4ccccc34)c2cc1C.Cc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3C)c2cc1C.Cc1cc2ncnc(Nc3ccc(Oc4ccccc4C)cc3)c2cc1C.Cc1cc2ncnc(Nc3ccc(Sc4ccccc4)cc3)c2cc1C
InChIInChI=1S/C26H21N3O.2C23H21N3O.2C23H21N3.C23H20N2O.C22H19N3S/c1-17-14-22-24(15-18(17)2)27-16-28-26(22)29-23-12-13-25(21-11-7-6-10-20(21)23)30-19-8-4-3-5-9-19;1-15-6-4-5-7-22(15)27-19-10-8-18(9-11-19)26-23-20-12-16(2)17(3)13-21(20)24-14-25-23;1-15-12-20-22(13-16(15)2)24-14-25-23(20)26-21-10-9-19(11-17(21)3)27-18-7-5-4-6-8-18;2*1-16-12-21-22(13-17(16)2)24-15-25-23(21)26-20-10-8-19(9-11-20)14-18-6-4-3-5-7-18;1-16-14-21-22(12-13-24-23(21)15-17(16)2)25-18-8-10-20(11-9-18)26-19-6-4-3-5-7-19;1-15-12-20-21(13-16(15)2)23-14-24-22(20)25-17-8-10-19(11-9-17)26-18-6-4-3-5-7-18/h3-16H,1-2H3,(H,27,28,29);2*4-14H,1-3H3,(H,24,25,26);2*3-13,15H,14H2,1-2H3,(H,24,25,26);3-15H,1-2H3,(H,24,25);3-14H,1-2H3,(H,23,24,25)
InChIKeyAMDSZVMUOIRSFL-UHFFFAOYSA-N
XLogP42.81
TPSA288.70 Ų
H-Bond Donors7
H-Bond Acceptors25
Rotatable Bonds28
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002479.15
LogP ≤ 542.81
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1025

Analyze bis(N-(4-benzylphenyl)-6,7-dimethylquinazolin-4-amine);6,7-dimethyl-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-[4-(2-methylphenoxy)phenyl]quinazolin-4-amine;6,7-dimethyl-N-(4-phenoxynaphthalen-1-yl)quinazolin-4-amine;6,7-dimethyl-N-(4-phenoxyphenyl)quinolin-4-amine;6,7-dimethyl-N-(4-phenylsulfanylphenyl)quinazolin-4-amine with MolForge

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Related Compounds

4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-quinolin-6-ylpyrimidine-2,4-diamine
CID 12114243
N-(4,4-difluoro-2,3-dihydrochromen-6-yl)-7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-amine
CID 24863754
6-[1-[(4,4-difluoro-2,3-dihydrochromen-6-yl)amino]-6-methylisoquinolin-5-yl]-N-methylquinazolin-2-amine
CID 68151701
4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-methylpyrimidine-2,4-diamine;4-N-(4-isoquinolin-5-yloxyphenyl)-6-methylpyrimidine-2,4-diamine;6-methyl-4-N-[4-(2-pyridin-4-ylethyl)phenyl]pyrimidine-2,4-diamine;6-methyl-4-N-[4-(pyridin-4-ylmethylsulfanyl)phenyl]pyrimidine-2,4-diamine;6-methyl-4-N-[4-(pyridin-4-ylsulfanylmethyl)phenyl]pyrimidine-2,4-diamine;6-methyl-4-N-[4-pyridin-4-ylsulfanyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 158118686
6-chloro-4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;6-chloro-4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 159799401
4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-methylpyrimidine-2,4-diamine;4-N-(4-isoquinolin-5-yloxyphenyl)-6-methylpyrimidine-2,4-diamine;6-methyl-4-N-[4-(2-pyridin-4-ylethyl)phenyl]pyrimidine-2,4-diamine;6-methyl-4-N-[4-(pyridin-4-ylsulfanylmethyl)phenyl]pyrimidine-2,4-diamine;6-methyl-4-N-[4-pyridin-4-ylsulfanyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 160697056
4-N-(4-isoquinolin-5-yloxyphenyl)-6-methylpyrimidine-2,4-diamine;6-methyl-4-N-[4-(2-pyridin-4-ylethyl)phenyl]pyrimidine-2,4-diamine;6-methyl-4-N-[4-(pyridin-4-ylmethylsulfanyl)phenyl]pyrimidine-2,4-diamine;6-methyl-4-N-[4-(pyridin-4-ylsulfanylmethyl)phenyl]pyrimidine-2,4-diamine;6-methyl-4-N-[4-pyridin-4-ylsulfanyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 161265887
4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-methylpyrimidine-2,4-diamine;4-N-(4-isoquinolin-5-yloxyphenyl)-6-methylpyrimidine-2,4-diamine;6-methyl-4-N-[4-(2-pyridin-4-ylethyl)phenyl]pyrimidine-2,4-diamine;6-methyl-4-N-[4-(pyridin-4-ylsulfanylmethyl)phenyl]pyrimidine-2,4-diamine;6-methyl-4-N-[4-pyridin-4-ylsulfanyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-methyl-4-N-(4-quinolin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
CID 161964264
6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(4-isoquinolin-7-yloxy-3-methylphenyl)quinazolin-4-amine
CID 58140015
N-(2,2-dimethylchromen-6-yl)-7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-amine
CID 68151353
N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-amine
CID 68151530
N-(4-methoxy-3-methylphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180616

Frequently Asked Questions

What is the IUPAC name of bis(N-(4-benzylphenyl)-6,7-dimethylquinazolin-4-amine);6,7-dimethyl-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-[4-(2-methylphenoxy)phenyl]quinazolin-4-amine;6,7-dimethyl-N-(4-phenoxynaphthalen-1-yl)quinazolin-4-amine;6,7-dimethyl-N-(4-phenoxyphenyl)quinolin-4-amine;6,7-dimethyl-N-(4-phenylsulfanylphenyl)quinazolin-4-amine?
The IUPAC name of bis(N-(4-benzylphenyl)-6,7-dimethylquinazolin-4-amine);6,7-dimethyl-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-[4-(2-methylphenoxy)phenyl]quinazolin-4-amine;6,7-dimethyl-N-(4-phenoxynaphthalen-1-yl)quinazolin-4-amine;6,7-dimethyl-N-(4-phenoxyphenyl)quinolin-4-amine;6,7-dimethyl-N-(4-phenylsulfanylphenyl)quinazolin-4-amine (CID 157159071) is bis(N-(4-benzylphenyl)-6,7-dimethylquinazolin-4-amine);6,7-dimethyl-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-[4-(2-methylphenoxy)phenyl]quinazolin-4-amine;6,7-dimethyl-N-(4-phenoxynaphthalen-1-yl)quinazolin-4-amine;6,7-dimethyl-N-(4-phenoxyphenyl)quinolin-4-amine;6,7-dimethyl-N-(4-phenylsulfanylphenyl)quinazolin-4-amine.
What is the SMILES notation for bis(N-(4-benzylphenyl)-6,7-dimethylquinazolin-4-amine);6,7-dimethyl-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-[4-(2-methylphenoxy)phenyl]quinazolin-4-amine;6,7-dimethyl-N-(4-phenoxynaphthalen-1-yl)quinazolin-4-amine;6,7-dimethyl-N-(4-phenoxyphenyl)quinolin-4-amine;6,7-dimethyl-N-(4-phenylsulfanylphenyl)quinazolin-4-amine?
The canonical SMILES for bis(N-(4-benzylphenyl)-6,7-dimethylquinazolin-4-amine);6,7-dimethyl-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-[4-(2-methylphenoxy)phenyl]quinazolin-4-amine;6,7-dimethyl-N-(4-phenoxynaphthalen-1-yl)quinazolin-4-amine;6,7-dimethyl-N-(4-phenoxyphenyl)quinolin-4-amine;6,7-dimethyl-N-(4-phenylsulfanylphenyl)quinazolin-4-amine is Cc1cc2nccc(Nc3ccc(Oc4ccccc4)cc3)c2cc1C.Cc1cc2ncnc(Nc3ccc(Cc4ccccc4)cc3)c2cc1C.Cc1cc2ncnc(Nc3ccc(Cc4ccccc4)cc3)c2cc1C.Cc1cc2ncnc(Nc3ccc(Oc4ccccc4)c4ccccc34)c2cc1C.Cc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3C)c2cc1C.Cc1cc2ncnc(Nc3ccc(Oc4ccccc4C)cc3)c2cc1C.Cc1cc2ncnc(Nc3ccc(Sc4ccccc4)cc3)c2cc1C.
What is the InChIKey of bis(N-(4-benzylphenyl)-6,7-dimethylquinazolin-4-amine);6,7-dimethyl-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-[4-(2-methylphenoxy)phenyl]quinazolin-4-amine;6,7-dimethyl-N-(4-phenoxynaphthalen-1-yl)quinazolin-4-amine;6,7-dimethyl-N-(4-phenoxyphenyl)quinolin-4-amine;6,7-dimethyl-N-(4-phenylsulfanylphenyl)quinazolin-4-amine?
The InChIKey is AMDSZVMUOIRSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O.2C23H21N3O.2C23H21N3.C23H20N2O.C22H19N3S/c1-17-14-22-24(15-18(17)2)27-16-28-26(22)29-23-12-13-25(21-11-7-6-10-20(21)23)30-19-8-4-3-5-9-19;1-15-6-4-5-7-22(15)27-19-10-8-18(9-11-19)26-23-20-12-16(2)17(3)13-21(20)24-14-25-23;1-15-12-20-22(13-16(15)2)24-14-25-23(20)26-21-10-9-19(11-17(21)3)27-18-7-5-4-6-8-18;2*1-16-12-21-22(13-17(16)2)24-15-25-23(21)26-20-10-8-19(9-11-20)14-18-6-4-3-5-7-18;1-16-14-21-22(12-13-24-23(21)15-17(16)2)25-18-8-10-20(11-9-18)26-19-6-4-3-5-7-19;1-15-12-20-21(13-16(15)2)23-14-24-22(20)25-17-8-10-19(11-9-17)26-18-6-4-3-5-7-18/h3-16H,1-2H3,(H,27,28,29);2*4-14H,1-3H3,(H,24,25,26);2*3-13,15H,14H2,1-2H3,(H,24,25,26);3-15H,1-2H3,(H,24,25);3-14H,1-2H3,(H,23,24,25).
What are the key properties of bis(N-(4-benzylphenyl)-6,7-dimethylquinazolin-4-amine);6,7-dimethyl-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-[4-(2-methylphenoxy)phenyl]quinazolin-4-amine;6,7-dimethyl-N-(4-phenoxynaphthalen-1-yl)quinazolin-4-amine;6,7-dimethyl-N-(4-phenoxyphenyl)quinolin-4-amine;6,7-dimethyl-N-(4-phenylsulfanylphenyl)quinazolin-4-amine?
bis(N-(4-benzylphenyl)-6,7-dimethylquinazolin-4-amine);6,7-dimethyl-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-[4-(2-methylphenoxy)phenyl]quinazolin-4-amine;6,7-dimethyl-N-(4-phenoxynaphthalen-1-yl)quinazolin-4-amine;6,7-dimethyl-N-(4-phenoxyphenyl)quinolin-4-amine;6,7-dimethyl-N-(4-phenylsulfanylphenyl)quinazolin-4-amine has a molecular weight of 2479.15 g/mol, XLogP of 42.81, 28 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-(4-benzylphenyl)-6,7-dimethylquinazolin-4-amine);6,7-dimethyl-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-[4-(2-methylphenoxy)phenyl]quinazolin-4-amine;6,7-dimethyl-N-(4-phenoxynaphthalen-1-yl)quinazolin-4-amine;6,7-dimethyl-N-(4-phenoxyphenyl)quinolin-4-amine;6,7-dimethyl-N-(4-phenylsulfanylphenyl)quinazolin-4-amine is sourced from PubChem (CID 157159071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).