N-benzyl-2-(3-chlorophenyl)quinazolin-4-amine;2-(2-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine;2-(3-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine;N-[(4-methoxyphenyl)methyl]-2-phenyl-N-pyridin-4-ylquinazolin-4-amine;2-phenyl-N-propan-2-yl-N-pyridin-4-ylquinazolin-4-amine

C108H84Cl3N19O — CID 158617092

IUPACN-benzyl-2-(3-chlorophenyl)quinazolin-4-amine;2-(2-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine;2-(3-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine;N-[(4-methoxyphenyl)methyl]-2-phenyl-N-pyridin-4-ylquinazolin-4-amine;2-phenyl-N-propan-2-yl-N-pyridin-4-ylquinazolin-4-amine
SMILESCC(C)N(c1ccncc1)c1nc(-c2ccccc2)nc2ccccc12.COc1ccc(CN(c2ccncc2)c2nc(-c3ccccc3)nc3ccccc23)cc1.Clc1cccc(-c2nc(NCc3ccccc3)c3ccccc3n2)c1.Clc1cccc(-c2nc(Nc3ccncc3)c3ccccc3n2)c1.Clc1ccccc1-c1nc(Nc2ccncc2)c2ccccc2n1
InChIInChI=1S/C27H22N4O.C22H20N4.C21H16ClN3.2C19H13ClN4/c1-32-23-13-11-20(12-14-23)19-31(22-15-17-28-18-16-22)27-24-9-5-6-10-25(24)29-26(30-27)21-7-3-2-4-8-21;1-16(2)26(18-12-14-23-15-13-18)22-19-10-6-7-11-20(19)24-21(25-22)17-8-4-3-5-9-17;22-17-10-6-9-16(13-17)20-24-19-12-5-4-11-18(19)21(25-20)23-14-15-7-2-1-3-8-15;20-16-7-3-1-5-14(16)18-23-17-8-4-2-6-15(17)19(24-18)22-13-9-11-21-12-10-13;20-14-5-3-4-13(12-14)18-23-17-7-2-1-6-16(17)19(24-18)22-15-8-10-21-11-9-15/h2-18H,19H2,1H3;3-16H,1-2H3;1-13H,14H2,(H,23,24,25);2*1-12H,(H,21,22,23,24)
InChIKeyHXNHQLQIYKQCNL-UHFFFAOYSA-N
MW1770.35 g/mol
LogP27.02
Rot. Bonds20

About N-benzyl-2-(3-chlorophenyl)quinazolin-4-amine;2-(2-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine;2-(3-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine;N-[(4-methoxyphenyl)methyl]-2-phenyl-N-pyridin-4-ylquinazolin-4-amine;2-phenyl-N-propan-2-yl-N-pyridin-4-ylquinazolin-4-amine

N-benzyl-2-(3-chlorophenyl)quinazolin-4-amine;2-(2-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine;2-(3-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine;N-[(4-methoxyphenyl)methyl]-2-phenyl-N-pyridin-4-ylquinazolin-4-amine;2-phenyl-N-propan-2-yl-N-pyridin-4-ylquinazolin-4-amine (PubChem CID 158617092) has the molecular formula C108H84Cl3N19O and a molecular weight of 1770.35 g/mol. Its IUPAC name is N-benzyl-2-(3-chlorophenyl)quinazolin-4-amine;2-(2-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine;2-(3-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine;N-[(4-methoxyphenyl)methyl]-2-phenyl-N-pyridin-4-ylquinazolin-4-amine;2-phenyl-N-propan-2-yl-N-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(3-chlorophenyl)quinazolin-4-amine;2-(2-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine;2-(3-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine;N-[(4-methoxyphenyl)methyl]-2-phenyl-N-pyridin-4-ylquinazolin-4-amine;2-phenyl-N-propan-2-yl-N-pyridin-4-ylquinazolin-4-amine
PubChem CID158617092
Molecular FormulaC108H84Cl3N19O
Molecular Weight1770.35 g/mol
Exact Mass1767.62
IUPAC NameN-benzyl-2-(3-chlorophenyl)quinazolin-4-amine;2-(2-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine;2-(3-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine;N-[(4-methoxyphenyl)methyl]-2-phenyl-N-pyridin-4-ylquinazolin-4-amine;2-phenyl-N-propan-2-yl-N-pyridin-4-ylquinazolin-4-amine
SMILESCC(C)N(c1ccncc1)c1nc(-c2ccccc2)nc2ccccc12.COc1ccc(CN(c2ccncc2)c2nc(-c3ccccc3)nc3ccccc23)cc1.Clc1cccc(-c2nc(NCc3ccccc3)c3ccccc3n2)c1.Clc1cccc(-c2nc(Nc3ccncc3)c3ccccc3n2)c1.Clc1ccccc1-c1nc(Nc2ccncc2)c2ccccc2n1
InChIInChI=1S/C27H22N4O.C22H20N4.C21H16ClN3.2C19H13ClN4/c1-32-23-13-11-20(12-14-23)19-31(22-15-17-28-18-16-22)27-24-9-5-6-10-25(24)29-26(30-27)21-7-3-2-4-8-21;1-16(2)26(18-12-14-23-15-13-18)22-19-10-6-7-11-20(19)24-21(25-22)17-8-4-3-5-9-17;22-17-10-6-9-16(13-17)20-24-19-12-5-4-11-18(19)21(25-20)23-14-15-7-2-1-3-8-15;20-16-7-3-1-5-14(16)18-23-17-8-4-2-6-15(17)19(24-18)22-13-9-11-21-12-10-13;20-14-5-3-4-13(12-14)18-23-17-7-2-1-6-16(17)19(24-18)22-15-8-10-21-11-9-15/h2-18H,19H2,1H3;3-16H,1-2H3;1-13H,14H2,(H,23,24,25);2*1-12H,(H,21,22,23,24)
InChIKeyHXNHQLQIYKQCNL-UHFFFAOYSA-N
XLogP27.02
TPSA232.26 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001770.35
LogP ≤ 527.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Analyze N-benzyl-2-(3-chlorophenyl)quinazolin-4-amine;2-(2-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine;2-(3-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine;N-[(4-methoxyphenyl)methyl]-2-phenyl-N-pyridin-4-ylquinazolin-4-amine;2-phenyl-N-propan-2-yl-N-pyridin-4-ylquinazolin-4-amine with MolForge

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Related Compounds

6-chloro-N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
CID 25178939
2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 117826054
2-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 117827310
N-[2-(3-chlorophenyl)ethyl]-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine
CID 117967663
1-(4-methoxyphenyl)-N,N-dimethyl-N'-(2-pyridin-3-ylquinazolin-4-yl)ethane-1,2-diamine
CID 4884591
2-(3-chlorophenyl)-N-[2-(4-methoxyphenyl)-4-pyridinyl]quinazolin-4-amine
CID 44532960
N-[2-(4-chlorophenyl)ethyl]-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine
CID 117967705
2-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 20963133
N-(3-{[1,4'-Bipiperidin]-1'-YL}propyl)-2-(4-methoxyphenyl)quinazolin-4-amine
CID 20963220
4-N-(3-chlorophenyl)-6-N-[(4-methoxyphenyl)methyl]quinazoline-4,6-diamine
CID 57400661
N-(7-chloroquinolin-4-yl)-N'-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 164609548
N-(7-chloroquinolin-4-yl)-N'-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]propane-1,3-diamine
CID 164612695

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-chlorophenyl)quinazolin-4-amine;2-(2-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine;2-(3-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine;N-[(4-methoxyphenyl)methyl]-2-phenyl-N-pyridin-4-ylquinazolin-4-amine;2-phenyl-N-propan-2-yl-N-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of N-benzyl-2-(3-chlorophenyl)quinazolin-4-amine;2-(2-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine;2-(3-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine;N-[(4-methoxyphenyl)methyl]-2-phenyl-N-pyridin-4-ylquinazolin-4-amine;2-phenyl-N-propan-2-yl-N-pyridin-4-ylquinazolin-4-amine (CID 158617092) is N-benzyl-2-(3-chlorophenyl)quinazolin-4-amine;2-(2-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine;2-(3-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine;N-[(4-methoxyphenyl)methyl]-2-phenyl-N-pyridin-4-ylquinazolin-4-amine;2-phenyl-N-propan-2-yl-N-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-benzyl-2-(3-chlorophenyl)quinazolin-4-amine;2-(2-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine;2-(3-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine;N-[(4-methoxyphenyl)methyl]-2-phenyl-N-pyridin-4-ylquinazolin-4-amine;2-phenyl-N-propan-2-yl-N-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for N-benzyl-2-(3-chlorophenyl)quinazolin-4-amine;2-(2-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine;2-(3-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine;N-[(4-methoxyphenyl)methyl]-2-phenyl-N-pyridin-4-ylquinazolin-4-amine;2-phenyl-N-propan-2-yl-N-pyridin-4-ylquinazolin-4-amine is CC(C)N(c1ccncc1)c1nc(-c2ccccc2)nc2ccccc12.COc1ccc(CN(c2ccncc2)c2nc(-c3ccccc3)nc3ccccc23)cc1.Clc1cccc(-c2nc(NCc3ccccc3)c3ccccc3n2)c1.Clc1cccc(-c2nc(Nc3ccncc3)c3ccccc3n2)c1.Clc1ccccc1-c1nc(Nc2ccncc2)c2ccccc2n1.
What is the InChIKey of N-benzyl-2-(3-chlorophenyl)quinazolin-4-amine;2-(2-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine;2-(3-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine;N-[(4-methoxyphenyl)methyl]-2-phenyl-N-pyridin-4-ylquinazolin-4-amine;2-phenyl-N-propan-2-yl-N-pyridin-4-ylquinazolin-4-amine?
The InChIKey is HXNHQLQIYKQCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O.C22H20N4.C21H16ClN3.2C19H13ClN4/c1-32-23-13-11-20(12-14-23)19-31(22-15-17-28-18-16-22)27-24-9-5-6-10-25(24)29-26(30-27)21-7-3-2-4-8-21;1-16(2)26(18-12-14-23-15-13-18)22-19-10-6-7-11-20(19)24-21(25-22)17-8-4-3-5-9-17;22-17-10-6-9-16(13-17)20-24-19-12-5-4-11-18(19)21(25-20)23-14-15-7-2-1-3-8-15;20-16-7-3-1-5-14(16)18-23-17-8-4-2-6-15(17)19(24-18)22-13-9-11-21-12-10-13;20-14-5-3-4-13(12-14)18-23-17-7-2-1-6-16(17)19(24-18)22-15-8-10-21-11-9-15/h2-18H,19H2,1H3;3-16H,1-2H3;1-13H,14H2,(H,23,24,25);2*1-12H,(H,21,22,23,24).
What are the key properties of N-benzyl-2-(3-chlorophenyl)quinazolin-4-amine;2-(2-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine;2-(3-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine;N-[(4-methoxyphenyl)methyl]-2-phenyl-N-pyridin-4-ylquinazolin-4-amine;2-phenyl-N-propan-2-yl-N-pyridin-4-ylquinazolin-4-amine?
N-benzyl-2-(3-chlorophenyl)quinazolin-4-amine;2-(2-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine;2-(3-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine;N-[(4-methoxyphenyl)methyl]-2-phenyl-N-pyridin-4-ylquinazolin-4-amine;2-phenyl-N-propan-2-yl-N-pyridin-4-ylquinazolin-4-amine has a molecular weight of 1770.35 g/mol, XLogP of 27.02, 20 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-chlorophenyl)quinazolin-4-amine;2-(2-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine;2-(3-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine;N-[(4-methoxyphenyl)methyl]-2-phenyl-N-pyridin-4-ylquinazolin-4-amine;2-phenyl-N-propan-2-yl-N-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 158617092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).