(8-chloro-2-phenylquinolin-3-yl)methanamine;N-[(8-chloro-2-phenylquinolin-3-yl)methyl]-7H-purin-6-amine

C37H28Cl2N8 — CID 159074469

IUPAC(8-chloro-2-phenylquinolin-3-yl)methanamine;N-[(8-chloro-2-phenylquinolin-3-yl)methyl]-7H-purin-6-amine
SMILESClc1cccc2cc(CNc3ncnc4nc[nH]c34)c(-c3ccccc3)nc12.NCc1cc2cccc(Cl)c2nc1-c1ccccc1
InChIInChI=1S/C21H15ClN6.C16H13ClN2/c22-16-8-4-7-14-9-15(17(28-18(14)16)13-5-2-1-3-6-13)10-23-20-19-21(25-11-24-19)27-12-26-20;17-14-8-4-7-12-9-13(10-18)15(19-16(12)14)11-5-2-1-3-6-11/h1-9,11-12H,10H2,(H2,23,24,25,26,27);1-9H,10,18H2
InChIKeyKABPNGNSSCKVOL-UHFFFAOYSA-N
MW655.59 g/mol
LogP8.85
Rot. Bonds6

About (8-chloro-2-phenylquinolin-3-yl)methanamine;N-[(8-chloro-2-phenylquinolin-3-yl)methyl]-7H-purin-6-amine

(8-chloro-2-phenylquinolin-3-yl)methanamine;N-[(8-chloro-2-phenylquinolin-3-yl)methyl]-7H-purin-6-amine (PubChem CID 159074469) has the molecular formula C37H28Cl2N8 and a molecular weight of 655.59 g/mol. Its IUPAC name is (8-chloro-2-phenylquinolin-3-yl)methanamine;N-[(8-chloro-2-phenylquinolin-3-yl)methyl]-7H-purin-6-amine.

Molecular Properties

Compound Name(8-chloro-2-phenylquinolin-3-yl)methanamine;N-[(8-chloro-2-phenylquinolin-3-yl)methyl]-7H-purin-6-amine
PubChem CID159074469
Molecular FormulaC37H28Cl2N8
Molecular Weight655.59 g/mol
Exact Mass654.18
IUPAC Name(8-chloro-2-phenylquinolin-3-yl)methanamine;N-[(8-chloro-2-phenylquinolin-3-yl)methyl]-7H-purin-6-amine
SMILESClc1cccc2cc(CNc3ncnc4nc[nH]c34)c(-c3ccccc3)nc12.NCc1cc2cccc(Cl)c2nc1-c1ccccc1
InChIInChI=1S/C21H15ClN6.C16H13ClN2/c22-16-8-4-7-14-9-15(17(28-18(14)16)13-5-2-1-3-6-13)10-23-20-19-21(25-11-24-19)27-12-26-20;17-14-8-4-7-12-9-13(10-18)15(19-16(12)14)11-5-2-1-3-6-11/h1-9,11-12H,10H2,(H2,23,24,25,26,27);1-9H,10,18H2
InChIKeyKABPNGNSSCKVOL-UHFFFAOYSA-N
XLogP8.85
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.59
LogP ≤ 58.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (8-chloro-2-phenylquinolin-3-yl)methanamine;N-[(8-chloro-2-phenylquinolin-3-yl)methyl]-7H-purin-6-amine with MolForge

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Launch Full Analysis

Related Compounds

N'-amino-2-[8-chloro-3-[(7H-purin-6-ylamino)methyl]quinolin-2-yl]benzenecarboximidamide
CID 145483334
N-[2-[8-chloro-2-(2-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine
CID 69046602
6-bromo-7H-purine;[6-chloro-2-(2-chlorophenyl)quinolin-3-yl]methanamine;N-[[6-chloro-2-(2-chlorophenyl)quinolin-3-yl]methyl]-7H-purin-6-amine
CID 160688741
N-[2-[8-chloro-2-(1,3-thiazol-4-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine
CID 69043949
N-[2-[8-chloro-2-(1,3-thiazol-5-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine
CID 69041410
N-[[8-fluoro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]-7H-purin-6-amine
CID 141225548
N-[[8-fluoro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]-7H-purin-6-amine;dihydrochloride
CID 141225547
N-[[2-(3-fluorophenyl)-8-methoxyquinolin-3-yl]methyl]-7H-purin-6-amine;2-(3-fluorophenyl)-3-[(7H-purin-6-ylamino)methyl]quinolin-8-ol
CID 159126139
N-[(2-amino-6-chlorophenyl)methyl]-7H-purin-6-amine
CID 69242166
8-chloro-N-[(1-oxidopyridin-1-ium-2-yl)methyl]-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinolin-2-amine
CID 46870963
2-[[8-chloro-3-[1-(7H-purin-6-ylamino)ethyl]quinolin-2-yl]amino]acetic acid
CID 66821996
N-[[3-(2-chlorophenyl)-8-fluoroquinoxalin-2-yl]methyl]-7H-purin-6-amine
CID 25071910

Frequently Asked Questions

What is the IUPAC name of (8-chloro-2-phenylquinolin-3-yl)methanamine;N-[(8-chloro-2-phenylquinolin-3-yl)methyl]-7H-purin-6-amine?
The IUPAC name of (8-chloro-2-phenylquinolin-3-yl)methanamine;N-[(8-chloro-2-phenylquinolin-3-yl)methyl]-7H-purin-6-amine (CID 159074469) is (8-chloro-2-phenylquinolin-3-yl)methanamine;N-[(8-chloro-2-phenylquinolin-3-yl)methyl]-7H-purin-6-amine.
What is the SMILES notation for (8-chloro-2-phenylquinolin-3-yl)methanamine;N-[(8-chloro-2-phenylquinolin-3-yl)methyl]-7H-purin-6-amine?
The canonical SMILES for (8-chloro-2-phenylquinolin-3-yl)methanamine;N-[(8-chloro-2-phenylquinolin-3-yl)methyl]-7H-purin-6-amine is Clc1cccc2cc(CNc3ncnc4nc[nH]c34)c(-c3ccccc3)nc12.NCc1cc2cccc(Cl)c2nc1-c1ccccc1.
What is the InChIKey of (8-chloro-2-phenylquinolin-3-yl)methanamine;N-[(8-chloro-2-phenylquinolin-3-yl)methyl]-7H-purin-6-amine?
The InChIKey is KABPNGNSSCKVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN6.C16H13ClN2/c22-16-8-4-7-14-9-15(17(28-18(14)16)13-5-2-1-3-6-13)10-23-20-19-21(25-11-24-19)27-12-26-20;17-14-8-4-7-12-9-13(10-18)15(19-16(12)14)11-5-2-1-3-6-11/h1-9,11-12H,10H2,(H2,23,24,25,26,27);1-9H,10,18H2.
What are the key properties of (8-chloro-2-phenylquinolin-3-yl)methanamine;N-[(8-chloro-2-phenylquinolin-3-yl)methyl]-7H-purin-6-amine?
(8-chloro-2-phenylquinolin-3-yl)methanamine;N-[(8-chloro-2-phenylquinolin-3-yl)methyl]-7H-purin-6-amine has a molecular weight of 655.59 g/mol, XLogP of 8.85, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chloro-2-phenylquinolin-3-yl)methanamine;N-[(8-chloro-2-phenylquinolin-3-yl)methyl]-7H-purin-6-amine is sourced from PubChem (CID 159074469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).