7-chloro-N-(1H-imidazol-2-ylmethyl)quinolin-4-amine

C13H11ClN4 — CID 64532467

IUPAC7-chloro-N-(1H-imidazol-2-ylmethyl)quinolin-4-amine
SMILESClc1ccc2c(NCc3ncc[nH]3)ccnc2c1
InChIInChI=1S/C13H11ClN4/c14-9-1-2-10-11(3-4-15-12(10)7-9)18-8-13-16-5-6-17-13/h1-7H,8H2,(H,15,18)(H,16,17)
InChIKeyGXFQDQHUFQCANV-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.22
Rot. Bonds3

About 7-chloro-N-(1H-imidazol-2-ylmethyl)quinolin-4-amine

7-chloro-N-(1H-imidazol-2-ylmethyl)quinolin-4-amine (PubChem CID 64532467) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is 7-chloro-N-(1H-imidazol-2-ylmethyl)quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-(1H-imidazol-2-ylmethyl)quinolin-4-amine
PubChem CID64532467
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name7-chloro-N-(1H-imidazol-2-ylmethyl)quinolin-4-amine
SMILESClc1ccc2c(NCc3ncc[nH]3)ccnc2c1
InChIInChI=1S/C13H11ClN4/c14-9-1-2-10-11(3-4-15-12(10)7-9)18-8-13-16-5-6-17-13/h1-7H,8H2,(H,15,18)(H,16,17)
InChIKeyGXFQDQHUFQCANV-UHFFFAOYSA-N
XLogP3.22
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 70684938
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1H-Purin-6-amine, N-(2-(1H-indol-3-yl)ethyl)-
CID 165348
4-N-(3-chlorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328070
2,4-Disubstituted Pyrimidine 2i
CID 5329422
2,4-Disubstituted Pyrimidine 2j
CID 5329423
6-(4-chlorophenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538792
Aloisine B
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CID 6538794

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(1H-imidazol-2-ylmethyl)quinolin-4-amine?
The IUPAC name of 7-chloro-N-(1H-imidazol-2-ylmethyl)quinolin-4-amine (CID 64532467) is 7-chloro-N-(1H-imidazol-2-ylmethyl)quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-(1H-imidazol-2-ylmethyl)quinolin-4-amine?
The canonical SMILES for 7-chloro-N-(1H-imidazol-2-ylmethyl)quinolin-4-amine is Clc1ccc2c(NCc3ncc[nH]3)ccnc2c1.
What is the InChIKey of 7-chloro-N-(1H-imidazol-2-ylmethyl)quinolin-4-amine?
The InChIKey is GXFQDQHUFQCANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c14-9-1-2-10-11(3-4-15-12(10)7-9)18-8-13-16-5-6-17-13/h1-7H,8H2,(H,15,18)(H,16,17).
What are the key properties of 7-chloro-N-(1H-imidazol-2-ylmethyl)quinolin-4-amine?
7-chloro-N-(1H-imidazol-2-ylmethyl)quinolin-4-amine has a molecular weight of 258.71 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(1H-imidazol-2-ylmethyl)quinolin-4-amine is sourced from PubChem (CID 64532467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).