2-N-(2-chlorophenyl)-6-N-quinolin-3-yl-7H-purine-2,6-diamine

C20H14ClN7 — CID 155809030

IUPAC2-N-(2-chlorophenyl)-6-N-quinolin-3-yl-7H-purine-2,6-diamine
SMILESClc1ccccc1Nc1nc(Nc2cnc3ccccc3c2)c2[nH]cnc2n1
InChIInChI=1S/C20H14ClN7/c21-14-6-2-4-8-16(14)26-20-27-18-17(23-11-24-18)19(28-20)25-13-9-12-5-1-3-7-15(12)22-10-13/h1-11H,(H3,23,24,25,26,27,28)
InChIKeyKBVQJPVOJJXJBW-UHFFFAOYSA-N
MW387.83 g/mol
LogP5.04
Rot. Bonds4

About 2-N-(2-chlorophenyl)-6-N-quinolin-3-yl-7H-purine-2,6-diamine

2-N-(2-chlorophenyl)-6-N-quinolin-3-yl-7H-purine-2,6-diamine (PubChem CID 155809030) has the molecular formula C20H14ClN7 and a molecular weight of 387.83 g/mol. Its IUPAC name is 2-N-(2-chlorophenyl)-6-N-quinolin-3-yl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-(2-chlorophenyl)-6-N-quinolin-3-yl-7H-purine-2,6-diamine
PubChem CID155809030
Molecular FormulaC20H14ClN7
Molecular Weight387.83 g/mol
Exact Mass387.10
IUPAC Name2-N-(2-chlorophenyl)-6-N-quinolin-3-yl-7H-purine-2,6-diamine
SMILESClc1ccccc1Nc1nc(Nc2cnc3ccccc3c2)c2[nH]cnc2n1
InChIInChI=1S/C20H14ClN7/c21-14-6-2-4-8-16(14)26-20-27-18-17(23-11-24-18)19(28-20)25-13-9-12-5-1-3-7-15(12)22-10-13/h1-11H,(H3,23,24,25,26,27,28)
InChIKeyKBVQJPVOJJXJBW-UHFFFAOYSA-N
XLogP5.04
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.83
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-cyclopropyl-2-N-quinolin-3-yl-7H-purine-2,6-diamine
CID 58774172
6-N-(2-chloro-4-fluorophenyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 114783285
5-iodo-4-(quinolin-3-ylamino)-1H-pyrimidin-6-one
CID 136971241
N-(5-chloro-3-fluoro-2-pyridinyl)quinolin-3-amine
CID 79728611
2-N-methyl-6-N-(2-methylphenyl)-7H-purine-2,6-diamine
CID 114783343
6-(2-chloroanilino)-1,7-dihydropurin-2-one
CID 86270775
6-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-N-quinolin-6-yl-7H-purine-2,6-diamine
CID 11553684
N-(2-bromophenyl)-2-chloro-7H-purin-6-amine
CID 25168953
2-N,4-N-bis(2-chlorophenyl)-5-methylpyrimidine-2,4-diamine
CID 5271601
N-(3-chlorophenyl)quinolin-3-amine
CID 24828267
N-(3-chloro-4-fluorophenyl)quinolin-3-amine
CID 82536187
2-N-quinolin-6-yl-7H-purine-2,6-diamine
CID 117084904

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chlorophenyl)-6-N-quinolin-3-yl-7H-purine-2,6-diamine?
The IUPAC name of 2-N-(2-chlorophenyl)-6-N-quinolin-3-yl-7H-purine-2,6-diamine (CID 155809030) is 2-N-(2-chlorophenyl)-6-N-quinolin-3-yl-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-(2-chlorophenyl)-6-N-quinolin-3-yl-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-(2-chlorophenyl)-6-N-quinolin-3-yl-7H-purine-2,6-diamine is Clc1ccccc1Nc1nc(Nc2cnc3ccccc3c2)c2[nH]cnc2n1.
What is the InChIKey of 2-N-(2-chlorophenyl)-6-N-quinolin-3-yl-7H-purine-2,6-diamine?
The InChIKey is KBVQJPVOJJXJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN7/c21-14-6-2-4-8-16(14)26-20-27-18-17(23-11-24-18)19(28-20)25-13-9-12-5-1-3-7-15(12)22-10-13/h1-11H,(H3,23,24,25,26,27,28).
What are the key properties of 2-N-(2-chlorophenyl)-6-N-quinolin-3-yl-7H-purine-2,6-diamine?
2-N-(2-chlorophenyl)-6-N-quinolin-3-yl-7H-purine-2,6-diamine has a molecular weight of 387.83 g/mol, XLogP of 5.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chlorophenyl)-6-N-quinolin-3-yl-7H-purine-2,6-diamine is sourced from PubChem (CID 155809030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).