N-[5-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethylquinazolin-4-amine;N-[5-(4-chlorophenoxy)-2-methylphenyl]-6,7-dimethylquinazolin-4-amine;6,7-dimethyl-N-(2-methyl-5-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-(3-methyl-5-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-(4-methyl-3-phenoxyphenyl)quinazolin-4-amine

C115H103Cl2N15O5 — CID 158111297

IUPACN-[5-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethylquinazolin-4-amine;N-[5-(4-chlorophenoxy)-2-methylphenyl]-6,7-dimethylquinazolin-4-amine;6,7-dimethyl-N-(2-methyl-5-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-(3-methyl-5-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-(4-methyl-3-phenoxyphenyl)quinazolin-4-amine
SMILESCc1cc(Nc2ncnc3cc(C)c(C)cc23)cc(Oc2ccccc2)c1.Cc1cc2ncnc(Nc3cc(Oc4ccc(Cl)cc4)ccc3C)c2cc1C.Cc1cc2ncnc(Nc3cc(Oc4cccc(Cl)c4)ccc3C)c2cc1C.Cc1cc2ncnc(Nc3cc(Oc4ccccc4)ccc3C)c2cc1C.Cc1cc2ncnc(Nc3ccc(C)c(Oc4ccccc4)c3)c2cc1C
InChIInChI=1S/2C23H20ClN3O.3C23H21N3O/c1-14-4-7-19(28-18-8-5-17(24)6-9-18)12-21(14)27-23-20-10-15(2)16(3)11-22(20)25-13-26-23;1-14-7-8-19(28-18-6-4-5-17(24)11-18)12-21(14)27-23-20-9-15(2)16(3)10-22(20)25-13-26-23;1-15-9-18(13-20(10-15)27-19-7-5-4-6-8-19)26-23-21-11-16(2)17(3)12-22(21)24-14-25-23;1-15-9-10-18(13-22(15)27-19-7-5-4-6-8-19)26-23-20-11-16(2)17(3)12-21(20)24-14-25-23;1-15-9-10-19(27-18-7-5-4-6-8-18)13-21(15)26-23-20-11-16(2)17(3)12-22(20)24-14-25-23/h2*4-13H,1-3H3,(H,25,26,27);3*4-14H,1-3H3,(H,24,25,26)
InChIKeyFQLSGLIGMKAKST-UHFFFAOYSA-N
MW1846.09 g/mol
LogP31.76
Rot. Bonds20

About N-[5-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethylquinazolin-4-amine;N-[5-(4-chlorophenoxy)-2-methylphenyl]-6,7-dimethylquinazolin-4-amine;6,7-dimethyl-N-(2-methyl-5-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-(3-methyl-5-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-(4-methyl-3-phenoxyphenyl)quinazolin-4-amine

N-[5-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethylquinazolin-4-amine;N-[5-(4-chlorophenoxy)-2-methylphenyl]-6,7-dimethylquinazolin-4-amine;6,7-dimethyl-N-(2-methyl-5-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-(3-methyl-5-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-(4-methyl-3-phenoxyphenyl)quinazolin-4-amine (PubChem CID 158111297) has the molecular formula C115H103Cl2N15O5 and a molecular weight of 1846.09 g/mol. Its IUPAC name is N-[5-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethylquinazolin-4-amine;N-[5-(4-chlorophenoxy)-2-methylphenyl]-6,7-dimethylquinazolin-4-amine;6,7-dimethyl-N-(2-methyl-5-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-(3-methyl-5-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-(4-methyl-3-phenoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[5-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethylquinazolin-4-amine;N-[5-(4-chlorophenoxy)-2-methylphenyl]-6,7-dimethylquinazolin-4-amine;6,7-dimethyl-N-(2-methyl-5-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-(3-methyl-5-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-(4-methyl-3-phenoxyphenyl)quinazolin-4-amine
PubChem CID158111297
Molecular FormulaC115H103Cl2N15O5
Molecular Weight1846.09 g/mol
Exact Mass1843.76
IUPAC NameN-[5-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethylquinazolin-4-amine;N-[5-(4-chlorophenoxy)-2-methylphenyl]-6,7-dimethylquinazolin-4-amine;6,7-dimethyl-N-(2-methyl-5-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-(3-methyl-5-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-(4-methyl-3-phenoxyphenyl)quinazolin-4-amine
SMILESCc1cc(Nc2ncnc3cc(C)c(C)cc23)cc(Oc2ccccc2)c1.Cc1cc2ncnc(Nc3cc(Oc4ccc(Cl)cc4)ccc3C)c2cc1C.Cc1cc2ncnc(Nc3cc(Oc4cccc(Cl)c4)ccc3C)c2cc1C.Cc1cc2ncnc(Nc3cc(Oc4ccccc4)ccc3C)c2cc1C.Cc1cc2ncnc(Nc3ccc(C)c(Oc4ccccc4)c3)c2cc1C
InChIInChI=1S/2C23H20ClN3O.3C23H21N3O/c1-14-4-7-19(28-18-8-5-17(24)6-9-18)12-21(14)27-23-20-10-15(2)16(3)11-22(20)25-13-26-23;1-14-7-8-19(28-18-6-4-5-17(24)11-18)12-21(14)27-23-20-9-15(2)16(3)10-22(20)25-13-26-23;1-15-9-18(13-20(10-15)27-19-7-5-4-6-8-19)26-23-21-11-16(2)17(3)12-22(21)24-14-25-23;1-15-9-10-18(13-22(15)27-19-7-5-4-6-8-19)26-23-20-11-16(2)17(3)12-21(20)24-14-25-23;1-15-9-10-19(27-18-7-5-4-6-8-18)13-21(15)26-23-20-11-16(2)17(3)12-22(20)24-14-25-23/h2*4-13H,1-3H3,(H,25,26,27);3*4-14H,1-3H3,(H,24,25,26)
InChIKeyFQLSGLIGMKAKST-UHFFFAOYSA-N
XLogP31.76
TPSA235.20 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001846.09
LogP ≤ 531.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze N-[5-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethylquinazolin-4-amine;N-[5-(4-chlorophenoxy)-2-methylphenyl]-6,7-dimethylquinazolin-4-amine;6,7-dimethyl-N-(2-methyl-5-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-(3-methyl-5-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-(4-methyl-3-phenoxyphenyl)quinazolin-4-amine with MolForge

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Related Compounds

2-[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-(oxan-3-yloxy)quinazolin-5-yl]-N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
CID 68907687
4-[2-(1-chloro-6-methylisoquinolin-5-yl)oxypyridin-3-yl]-N-methylpyrimidin-2-amine;6-methyl-5-[3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl]oxy-N-[3-(trifluoromethoxy)phenyl]isoquinolin-1-amine
CID 157059233
Tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline
CID 158231344
7-[2-(3-Chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(3-chlorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
CID 159394529
5-[(4-Chlorophenyl)methoxy]quinazoline-2,4-diamine;5-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-fluorophenoxy)quinazolin-4-amine;5-(4-methoxyphenoxy)quinazolin-4-amine;5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine;2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-amine
CID 160468803
Bis(5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine);5-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-amine
CID 160984236
7-chloro-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-fluoro-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methoxy-4-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine
CID 161604209
4-[2-(1-chloro-6-methylisoquinolin-5-yl)oxypyridin-3-yl]-1-methyl-2H-pyrimidin-2-amine;6-methyl-5-[3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl]oxy-N-[3-(trifluoromethoxy)phenyl]isoquinolin-1-amine
CID 161151808
N-(4-chlorophenyl)-6-ethyl-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-amine
CID 134390890
3-[3-(4-Aminoquinazolin-6-yl)-2-pyridinyl]-4-chlorophenol;ethane;6-[2-(5-methoxy-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine
CID 144943641
N-[5-(4-benzylpyrimidin-2-yl)pentyl]-7-chloroquinolin-4-amine;N-[3-(4-benzylpyrimidin-2-yl)propyl]-7-chloroquinolin-4-amine;7-chloro-N-[3-[4-[(3-methoxy-5-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine;bis(7-chloro-N-[5-[4-[(4-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine);7-chloro-N-[3-[4-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-N-phenylpyrimidine-2,4-diamine
CID 157078373
3-[[[2-amino-6-(3-methoxyanilino)pyrimidin-4-yl]methyl-methylamino]methyl]benzonitrile;6-[[benzyl(methyl)amino]methyl]-4-N-isoquinolin-7-ylpyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methylphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-naphthalen-2-ylpyrimidine-2,4-diamine;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;4-N-(3-methoxyphenyl)-6-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrimidine-2,4-diamine;6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 157134311

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethylquinazolin-4-amine;N-[5-(4-chlorophenoxy)-2-methylphenyl]-6,7-dimethylquinazolin-4-amine;6,7-dimethyl-N-(2-methyl-5-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-(3-methyl-5-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-(4-methyl-3-phenoxyphenyl)quinazolin-4-amine?
The IUPAC name of N-[5-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethylquinazolin-4-amine;N-[5-(4-chlorophenoxy)-2-methylphenyl]-6,7-dimethylquinazolin-4-amine;6,7-dimethyl-N-(2-methyl-5-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-(3-methyl-5-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-(4-methyl-3-phenoxyphenyl)quinazolin-4-amine (CID 158111297) is N-[5-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethylquinazolin-4-amine;N-[5-(4-chlorophenoxy)-2-methylphenyl]-6,7-dimethylquinazolin-4-amine;6,7-dimethyl-N-(2-methyl-5-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-(3-methyl-5-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-(4-methyl-3-phenoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for N-[5-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethylquinazolin-4-amine;N-[5-(4-chlorophenoxy)-2-methylphenyl]-6,7-dimethylquinazolin-4-amine;6,7-dimethyl-N-(2-methyl-5-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-(3-methyl-5-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-(4-methyl-3-phenoxyphenyl)quinazolin-4-amine?
The canonical SMILES for N-[5-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethylquinazolin-4-amine;N-[5-(4-chlorophenoxy)-2-methylphenyl]-6,7-dimethylquinazolin-4-amine;6,7-dimethyl-N-(2-methyl-5-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-(3-methyl-5-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-(4-methyl-3-phenoxyphenyl)quinazolin-4-amine is Cc1cc(Nc2ncnc3cc(C)c(C)cc23)cc(Oc2ccccc2)c1.Cc1cc2ncnc(Nc3cc(Oc4ccc(Cl)cc4)ccc3C)c2cc1C.Cc1cc2ncnc(Nc3cc(Oc4cccc(Cl)c4)ccc3C)c2cc1C.Cc1cc2ncnc(Nc3cc(Oc4ccccc4)ccc3C)c2cc1C.Cc1cc2ncnc(Nc3ccc(C)c(Oc4ccccc4)c3)c2cc1C.
What is the InChIKey of N-[5-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethylquinazolin-4-amine;N-[5-(4-chlorophenoxy)-2-methylphenyl]-6,7-dimethylquinazolin-4-amine;6,7-dimethyl-N-(2-methyl-5-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-(3-methyl-5-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-(4-methyl-3-phenoxyphenyl)quinazolin-4-amine?
The InChIKey is FQLSGLIGMKAKST-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H20ClN3O.3C23H21N3O/c1-14-4-7-19(28-18-8-5-17(24)6-9-18)12-21(14)27-23-20-10-15(2)16(3)11-22(20)25-13-26-23;1-14-7-8-19(28-18-6-4-5-17(24)11-18)12-21(14)27-23-20-9-15(2)16(3)10-22(20)25-13-26-23;1-15-9-18(13-20(10-15)27-19-7-5-4-6-8-19)26-23-21-11-16(2)17(3)12-22(21)24-14-25-23;1-15-9-10-18(13-22(15)27-19-7-5-4-6-8-19)26-23-20-11-16(2)17(3)12-21(20)24-14-25-23;1-15-9-10-19(27-18-7-5-4-6-8-18)13-21(15)26-23-20-11-16(2)17(3)12-22(20)24-14-25-23/h2*4-13H,1-3H3,(H,25,26,27);3*4-14H,1-3H3,(H,24,25,26).
What are the key properties of N-[5-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethylquinazolin-4-amine;N-[5-(4-chlorophenoxy)-2-methylphenyl]-6,7-dimethylquinazolin-4-amine;6,7-dimethyl-N-(2-methyl-5-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-(3-methyl-5-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-(4-methyl-3-phenoxyphenyl)quinazolin-4-amine?
N-[5-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethylquinazolin-4-amine;N-[5-(4-chlorophenoxy)-2-methylphenyl]-6,7-dimethylquinazolin-4-amine;6,7-dimethyl-N-(2-methyl-5-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-(3-methyl-5-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-(4-methyl-3-phenoxyphenyl)quinazolin-4-amine has a molecular weight of 1846.09 g/mol, XLogP of 31.76, 20 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethylquinazolin-4-amine;N-[5-(4-chlorophenoxy)-2-methylphenyl]-6,7-dimethylquinazolin-4-amine;6,7-dimethyl-N-(2-methyl-5-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-(3-methyl-5-phenoxyphenyl)quinazolin-4-amine;6,7-dimethyl-N-(4-methyl-3-phenoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 158111297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).