2-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]quinoline-4-carboxamide

C21H17ClN4O — CID 18291718

IUPAC2-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]quinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(Cl)nc2ccccc12)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C21H17ClN4O/c1-14(15-6-8-16(9-7-15)26-11-10-23-13-26)24-21(27)18-12-20(22)25-19-5-3-2-4-17(18)19/h2-14H,1H3,(H,24,27)
InChIKeyUCKOJTNDSYYEDA-UHFFFAOYSA-N
MW376.85 g/mol
LogP4.56
Rot. Bonds4

About 2-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]quinoline-4-carboxamide

2-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]quinoline-4-carboxamide (PubChem CID 18291718) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]quinoline-4-carboxamide
PubChem CID18291718
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC Name2-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]quinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(Cl)nc2ccccc12)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C21H17ClN4O/c1-14(15-6-8-16(9-7-15)26-11-10-23-13-26)24-21(27)18-12-20(22)25-19-5-3-2-4-17(18)19/h2-14H,1H3,(H,24,27)
InChIKeyUCKOJTNDSYYEDA-UHFFFAOYSA-N
XLogP4.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]quinoxaline-2-carboxamide
CID 41082957
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 41082611
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,3-dimethylbenzamide
CID 24819432
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
2-hydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide
CID 31207168
2-hydroxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide
CID 42905501
2-chloro-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 43082670
6,8-dichloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 4914709
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 18112960
3-chloro-4-hydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 31206996
2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 16574262

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]quinoline-4-carboxamide (CID 18291718) is 2-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]quinoline-4-carboxamide is CC(NC(=O)c1cc(Cl)nc2ccccc12)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 2-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]quinoline-4-carboxamide?
The InChIKey is UCKOJTNDSYYEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c1-14(15-6-8-16(9-7-15)26-11-10-23-13-26)24-21(27)18-12-20(22)25-19-5-3-2-4-17(18)19/h2-14H,1H3,(H,24,27).
What are the key properties of 2-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]quinoline-4-carboxamide?
2-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]quinoline-4-carboxamide has a molecular weight of 376.85 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 18291718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).