6-chloro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]quinoline-8-carboxamide

C21H17ClN4O — CID 55871851

IUPAC6-chloro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]quinoline-8-carboxamide
SMILESO=C(NCc1ccccc1Cn1ccnc1)c1cc(Cl)cc2cccnc12
InChIInChI=1S/C21H17ClN4O/c22-18-10-15-6-3-7-24-20(15)19(11-18)21(27)25-12-16-4-1-2-5-17(16)13-26-9-8-23-14-26/h1-11,14H,12-13H2,(H,25,27)
InChIKeyRGSVEAOYDBDVRL-UHFFFAOYSA-N
MW376.85 g/mol
LogP4.06
Rot. Bonds5

About 6-chloro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]quinoline-8-carboxamide

6-chloro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]quinoline-8-carboxamide (PubChem CID 55871851) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is 6-chloro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]quinoline-8-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]quinoline-8-carboxamide
PubChem CID55871851
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC Name6-chloro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]quinoline-8-carboxamide
SMILESO=C(NCc1ccccc1Cn1ccnc1)c1cc(Cl)cc2cccnc12
InChIInChI=1S/C21H17ClN4O/c22-18-10-15-6-3-7-24-20(15)19(11-18)21(27)25-12-16-4-1-2-5-17(16)13-26-9-8-23-14-26/h1-11,14H,12-13H2,(H,25,27)
InChIKeyRGSVEAOYDBDVRL-UHFFFAOYSA-N
XLogP4.06
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-quinolin-8-ylacetamide
CID 55507398
2,4-dichloro-5-fluoro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 24676423
7-fluoro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dimethylquinoxaline-5-carboxamide
CID 55823334
6-chloro-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]quinoline-8-carboxamide
CID 56781980
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 55475406
6-chloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]quinoline-8-carboxamide
CID 87025093
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 39518259
6-chloro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]quinoline-8-carboxamide
CID 47089636
N-[(2-hydroxyphenyl)methyl]quinoline-8-carboxamide
CID 115598832
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 55636536
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-methoxybenzamide
CID 24650010
6-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]quinoline-8-carboxamide
CID 55881590

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]quinoline-8-carboxamide?
The IUPAC name of 6-chloro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]quinoline-8-carboxamide (CID 55871851) is 6-chloro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]quinoline-8-carboxamide.
What is the SMILES notation for 6-chloro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]quinoline-8-carboxamide?
The canonical SMILES for 6-chloro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]quinoline-8-carboxamide is O=C(NCc1ccccc1Cn1ccnc1)c1cc(Cl)cc2cccnc12.
What is the InChIKey of 6-chloro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]quinoline-8-carboxamide?
The InChIKey is RGSVEAOYDBDVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c22-18-10-15-6-3-7-24-20(15)19(11-18)21(27)25-12-16-4-1-2-5-17(16)13-26-9-8-23-14-26/h1-11,14H,12-13H2,(H,25,27).
What are the key properties of 6-chloro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]quinoline-8-carboxamide?
6-chloro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]quinoline-8-carboxamide has a molecular weight of 376.85 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]quinoline-8-carboxamide is sourced from PubChem (CID 55871851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).