8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine

C13H11ClN4 — CID 62763903

IUPAC8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine
SMILESClc1ccc(NCc2cnc[nH]2)c2cccnc12
InChIInChI=1S/C13H11ClN4/c14-11-3-4-12(10-2-1-5-16-13(10)11)17-7-9-6-15-8-18-9/h1-6,8,17H,7H2,(H,15,18)
InChIKeyWOLVXDWGPFIPDU-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.22
Rot. Bonds3

About 8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine

8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine (PubChem CID 62763903) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is 8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine.

Molecular Properties

Compound Name8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine
PubChem CID62763903
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine
SMILESClc1ccc(NCc2cnc[nH]2)c2cccnc12
InChIInChI=1S/C13H11ClN4/c14-11-3-4-12(10-2-1-5-16-13(10)11)17-7-9-6-15-8-18-9/h1-6,8,17H,7H2,(H,15,18)
InChIKeyWOLVXDWGPFIPDU-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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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine?
The IUPAC name of 8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine (CID 62763903) is 8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine.
What is the SMILES notation for 8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine?
The canonical SMILES for 8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine is Clc1ccc(NCc2cnc[nH]2)c2cccnc12.
What is the InChIKey of 8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine?
The InChIKey is WOLVXDWGPFIPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c14-11-3-4-12(10-2-1-5-16-13(10)11)17-7-9-6-15-8-18-9/h1-6,8,17H,7H2,(H,15,18).
What are the key properties of 8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine?
8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-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 8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine is sourced from PubChem (CID 62763903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).