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

C14H13ClN4 — CID 62763180

IUPAC6-chloro-N-(1H-imidazol-5-ylmethyl)-8-methylquinolin-5-amine
SMILESCc1cc(Cl)c(NCc2cnc[nH]2)c2cccnc12
InChIInChI=1S/C14H13ClN4/c1-9-5-12(15)14(11-3-2-4-17-13(9)11)18-7-10-6-16-8-19-10/h2-6,8,18H,7H2,1H3,(H,16,19)
InChIKeySGSIRGRBDOTEPC-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.53
Rot. Bonds3

About 6-chloro-N-(1H-imidazol-5-ylmethyl)-8-methylquinolin-5-amine

6-chloro-N-(1H-imidazol-5-ylmethyl)-8-methylquinolin-5-amine (PubChem CID 62763180) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is 6-chloro-N-(1H-imidazol-5-ylmethyl)-8-methylquinolin-5-amine.

Molecular Properties

Compound Name6-chloro-N-(1H-imidazol-5-ylmethyl)-8-methylquinolin-5-amine
PubChem CID62763180
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name6-chloro-N-(1H-imidazol-5-ylmethyl)-8-methylquinolin-5-amine
SMILESCc1cc(Cl)c(NCc2cnc[nH]2)c2cccnc12
InChIInChI=1S/C14H13ClN4/c1-9-5-12(15)14(11-3-2-4-17-13(9)11)18-7-10-6-16-8-19-10/h2-6,8,18H,7H2,1H3,(H,16,19)
InChIKeySGSIRGRBDOTEPC-UHFFFAOYSA-N
XLogP3.53
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine
CID 62763903
6-chloro-8-methyl-N-[(2-methylphenyl)methyl]quinolin-5-amine
CID 43674610
6-[[(6-chloro-8-methylquinolin-5-yl)amino]methyl]pyridin-3-ol
CID 79782036
6-chloro-N-[(3-fluorophenyl)methyl]-8-methylquinolin-5-amine
CID 43674609
N-(1H-imidazol-5-ylmethyl)-8-methylquinoline-5-sulfonamide
CID 104774039
6-chloro-N-(3,3-dimethylbutyl)-8-methylquinolin-5-amine
CID 63427847
6-chloro-N-[(1-ethylimidazol-2-yl)methyl]-8-methylquinolin-5-amine
CID 62357068
N-[(3-aminothiophen-2-yl)methyl]-6-chloro-8-methylquinolin-5-amine
CID 66385330
2-chloro-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine
CID 59728068
6-chloro-8-methyl-N-(2-methylpentyl)quinolin-5-amine
CID 43674590
1-(3-chloro-4-methylphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine
CID 106816903
N-(6-chloro-8-methylquinolin-5-yl)-2-ethoxyacetamide
CID 60779334

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1H-imidazol-5-ylmethyl)-8-methylquinolin-5-amine?
The IUPAC name of 6-chloro-N-(1H-imidazol-5-ylmethyl)-8-methylquinolin-5-amine (CID 62763180) is 6-chloro-N-(1H-imidazol-5-ylmethyl)-8-methylquinolin-5-amine.
What is the SMILES notation for 6-chloro-N-(1H-imidazol-5-ylmethyl)-8-methylquinolin-5-amine?
The canonical SMILES for 6-chloro-N-(1H-imidazol-5-ylmethyl)-8-methylquinolin-5-amine is Cc1cc(Cl)c(NCc2cnc[nH]2)c2cccnc12.
What is the InChIKey of 6-chloro-N-(1H-imidazol-5-ylmethyl)-8-methylquinolin-5-amine?
The InChIKey is SGSIRGRBDOTEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c1-9-5-12(15)14(11-3-2-4-17-13(9)11)18-7-10-6-16-8-19-10/h2-6,8,18H,7H2,1H3,(H,16,19).
What are the key properties of 6-chloro-N-(1H-imidazol-5-ylmethyl)-8-methylquinolin-5-amine?
6-chloro-N-(1H-imidazol-5-ylmethyl)-8-methylquinolin-5-amine has a molecular weight of 272.74 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1H-imidazol-5-ylmethyl)-8-methylquinolin-5-amine is sourced from PubChem (CID 62763180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).