8-quinolin-4-yl-7H-purin-6-amine

C14H10N6 — CID 114608196

IUPAC8-quinolin-4-yl-7H-purin-6-amine
SMILESNc1ncnc2nc(-c3ccnc4ccccc34)[nH]c12
InChIInChI=1S/C14H10N6/c15-12-11-14(18-7-17-12)20-13(19-11)9-5-6-16-10-4-2-1-3-8(9)10/h1-7H,(H3,15,17,18,19,20)
InChIKeyKDEHBTIOTOZQAI-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.15
Rot. Bonds1

About 8-quinolin-4-yl-7H-purin-6-amine

8-quinolin-4-yl-7H-purin-6-amine (PubChem CID 114608196) has the molecular formula C14H10N6 and a molecular weight of 262.28 g/mol. Its IUPAC name is 8-quinolin-4-yl-7H-purin-6-amine.

Molecular Properties

Compound Name8-quinolin-4-yl-7H-purin-6-amine
PubChem CID114608196
Molecular FormulaC14H10N6
Molecular Weight262.28 g/mol
Exact Mass262.10
IUPAC Name8-quinolin-4-yl-7H-purin-6-amine
SMILESNc1ncnc2nc(-c3ccnc4ccccc34)[nH]c12
InChIInChI=1S/C14H10N6/c15-12-11-14(18-7-17-12)20-13(19-11)9-5-6-16-10-4-2-1-3-8(9)10/h1-7H,(H3,15,17,18,19,20)
InChIKeyKDEHBTIOTOZQAI-UHFFFAOYSA-N
XLogP2.15
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-quinolin-2-yl-7H-purin-6-amine
CID 114608266
8-pyren-1-yl-7H-purin-6-amine
CID 16732486
8-(2-ethylphenyl)-7H-purin-6-amine
CID 114608258
8-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine
CID 114608201
8-quinolin-8-yl-7H-purin-6-amine
CID 114608195
8-(2-bromofuran-3-yl)-7H-purin-6-amine
CID 106854955
8-(1-methylindazol-3-yl)-7H-purin-6-amine
CID 136785887
8-(3-bromo-2-chlorophenyl)-7H-purin-6-amine
CID 114608330
8-(2-amino-5-chlorophenyl)-7H-purin-6-amine
CID 114607883
8-(5-amino-2-chlorophenyl)-7H-purin-6-amine
CID 114607833
8-[2-fluoro-3-(trifluoromethyl)phenyl]-7H-purin-6-amine
CID 114608409
2-(6-amino-7H-purin-8-yl)-5-bromophenol
CID 137003589

Frequently Asked Questions

What is the IUPAC name of 8-quinolin-4-yl-7H-purin-6-amine?
The IUPAC name of 8-quinolin-4-yl-7H-purin-6-amine (CID 114608196) is 8-quinolin-4-yl-7H-purin-6-amine.
What is the SMILES notation for 8-quinolin-4-yl-7H-purin-6-amine?
The canonical SMILES for 8-quinolin-4-yl-7H-purin-6-amine is Nc1ncnc2nc(-c3ccnc4ccccc34)[nH]c12.
What is the InChIKey of 8-quinolin-4-yl-7H-purin-6-amine?
The InChIKey is KDEHBTIOTOZQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6/c15-12-11-14(18-7-17-12)20-13(19-11)9-5-6-16-10-4-2-1-3-8(9)10/h1-7H,(H3,15,17,18,19,20).
What are the key properties of 8-quinolin-4-yl-7H-purin-6-amine?
8-quinolin-4-yl-7H-purin-6-amine has a molecular weight of 262.28 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-quinolin-4-yl-7H-purin-6-amine is sourced from PubChem (CID 114608196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).