3-(quinolin-2-ylmethyl)-7H-purin-6-imine

C15H12N6 — CID 138740765

IUPAC3-(quinolin-2-ylmethyl)-7H-purin-6-imine
SMILES[H]/N=c1\ncn(Cc2ccc3ccccc3n2)c2nc[nH]c12
InChIInChI=1S/C15H12N6/c16-14-13-15(18-8-17-13)21(9-19-14)7-11-6-5-10-3-1-2-4-12(10)20-11/h1-6,8-9,16H,7H2,(H,17,18)/b16-14-
InChIKeyBVUQPPRFUZKIOK-PEZBUJJGSA-N
MW276.30 g/mol
LogP1.84
Rot. Bonds2

About 3-(quinolin-2-ylmethyl)-7H-purin-6-imine

3-(quinolin-2-ylmethyl)-7H-purin-6-imine (PubChem CID 138740765) has the molecular formula C15H12N6 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-(quinolin-2-ylmethyl)-7H-purin-6-imine.

Molecular Properties

Compound Name3-(quinolin-2-ylmethyl)-7H-purin-6-imine
PubChem CID138740765
Molecular FormulaC15H12N6
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC Name3-(quinolin-2-ylmethyl)-7H-purin-6-imine
SMILES[H]/N=c1\ncn(Cc2ccc3ccccc3n2)c2nc[nH]c12
InChIInChI=1S/C15H12N6/c16-14-13-15(18-8-17-13)21(9-19-14)7-11-6-5-10-3-1-2-4-12(10)20-11/h1-6,8-9,16H,7H2,(H,17,18)/b16-14-
InChIKeyBVUQPPRFUZKIOK-PEZBUJJGSA-N
XLogP1.84
TPSA83.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-methylphenyl)methyl]-7H-purin-6-imine
CID 135435061
4-[(1R,2S)-2-[4-[(6-imino-7H-purin-3-yl)methyl]triazol-1-yl]-1,2-diphenylethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 135930399
7-chloro-3-(quinolin-2-ylmethyl)quinazolin-4-one
CID 141114894
3-[(2,6-dichlorophenyl)methyl]-8-methyl-7H-purin-6-imine
CID 138740655
N-[[1-(quinolin-2-ylmethyl)imidazol-2-yl]methyl]ethanamine
CID 62222148
[(2S)-1-(quinolin-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 78995603
N,N'-diethyl-N,N'-bis(quinolin-2-ylmethyl)ethane-1,2-diamine
CID 101381014
8-bromo-3-[(4-fluorophenyl)methyl]-7H-purin-6-imine
CID 137076992
N-methyl-1-[1-(quinolin-2-ylmethyl)pyrrol-2-yl]ethanamine
CID 79102748
CID 89210421
CID 89210421
2-oxo-1-(quinolin-2-ylmethyl)pyridine-4-carboxylic acid
CID 82898259
2-[[5-(oxiran-2-yl)imidazol-1-yl]methyl]quinoline
CID 142042338

Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-2-ylmethyl)-7H-purin-6-imine?
The IUPAC name of 3-(quinolin-2-ylmethyl)-7H-purin-6-imine (CID 138740765) is 3-(quinolin-2-ylmethyl)-7H-purin-6-imine.
What is the SMILES notation for 3-(quinolin-2-ylmethyl)-7H-purin-6-imine?
The canonical SMILES for 3-(quinolin-2-ylmethyl)-7H-purin-6-imine is [H]/N=c1\ncn(Cc2ccc3ccccc3n2)c2nc[nH]c12.
What is the InChIKey of 3-(quinolin-2-ylmethyl)-7H-purin-6-imine?
The InChIKey is BVUQPPRFUZKIOK-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H12N6/c16-14-13-15(18-8-17-13)21(9-19-14)7-11-6-5-10-3-1-2-4-12(10)20-11/h1-6,8-9,16H,7H2,(H,17,18)/b16-14-.
What are the key properties of 3-(quinolin-2-ylmethyl)-7H-purin-6-imine?
3-(quinolin-2-ylmethyl)-7H-purin-6-imine has a molecular weight of 276.30 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-2-ylmethyl)-7H-purin-6-imine is sourced from PubChem (CID 138740765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).