5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carboxamide

C14H11ClN4O — CID 135354689

IUPAC5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carboxamide
SMILESNC(=O)c1ncc(Cc2ccc3ncc(Cl)cc3c2)[nH]1
InChIInChI=1S/C14H11ClN4O/c15-10-5-9-3-8(1-2-12(9)17-6-10)4-11-7-18-14(19-11)13(16)20/h1-3,5-7H,4H2,(H2,16,20)(H,18,19)
InChIKeyKZLFFFVTUQQZFG-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.30
Rot. Bonds3

About 5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carboxamide

5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carboxamide (PubChem CID 135354689) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is 5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carboxamide
PubChem CID135354689
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carboxamide
SMILESNC(=O)c1ncc(Cc2ccc3ncc(Cl)cc3c2)[nH]1
InChIInChI=1S/C14H11ClN4O/c15-10-5-9-3-8(1-2-12(9)17-6-10)4-11-7-18-14(19-11)13(16)20/h1-3,5-7H,4H2,(H2,16,20)(H,18,19)
InChIKeyKZLFFFVTUQQZFG-UHFFFAOYSA-N
XLogP2.30
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloroquinolin-6-yl)acetohydrazide
CID 134178519
1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide
CID 135354589
5-[(3-chloroquinolin-6-yl)methyl]-1H-1,2,4-triazole-3-carboxylic acid;hydrochloride
CID 135354526
5-[(4-chlorophenyl)methyl]-1H-imidazole-2-carboxylic acid
CID 96594233
1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 155011682
tert-butyl N-[5-[[1-[5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazol-2-yl]ethenylamino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate
CID 134178549
1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide
CID 135354693
1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrazole-3-carboxamide
CID 135354866
3-amino-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylic acid
CID 134177987
5-[(3-chloroquinolin-6-yl)methyl]-2-methyl-1,2,4-triazole-3-carboxylic acid
CID 134178437
4-bromo-2-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrole-5-carboxylic acid
CID 159181302
5-[(3-chloroquinolin-6-yl)methyl]-2-methyl-1,2,4-triazole-3-carboxylic acid;hydrochloride
CID 135354686

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carboxamide (CID 135354689) is 5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carboxamide is NC(=O)c1ncc(Cc2ccc3ncc(Cl)cc3c2)[nH]1.
What is the InChIKey of 5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carboxamide?
The InChIKey is KZLFFFVTUQQZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c15-10-5-9-3-8(1-2-12(9)17-6-10)4-11-7-18-14(19-11)13(16)20/h1-3,5-7H,4H2,(H2,16,20)(H,18,19).
What are the key properties of 5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carboxamide?
5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carboxamide has a molecular weight of 286.72 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 135354689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).