1-[(7-chloroquinolin-3-yl)methyl]-3-methoxypyrazole-4-carboxamide

C15H13ClN4O2 — CID 174942690

IUPAC1-[(7-chloroquinolin-3-yl)methyl]-3-methoxypyrazole-4-carboxamide
SMILESCOc1nn(Cc2cnc3cc(Cl)ccc3c2)cc1C(N)=O
InChIInChI=1S/C15H13ClN4O2/c1-22-15-12(14(17)21)8-20(19-15)7-9-4-10-2-3-11(16)5-13(10)18-6-9/h2-6,8H,7H2,1H3,(H2,17,21)
InChIKeyMCMXBSQOGOFAPM-UHFFFAOYSA-N
MW316.75 g/mol
LogP2.24
Rot. Bonds4

About 1-[(7-chloroquinolin-3-yl)methyl]-3-methoxypyrazole-4-carboxamide

1-[(7-chloroquinolin-3-yl)methyl]-3-methoxypyrazole-4-carboxamide (PubChem CID 174942690) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is 1-[(7-chloroquinolin-3-yl)methyl]-3-methoxypyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(7-chloroquinolin-3-yl)methyl]-3-methoxypyrazole-4-carboxamide
PubChem CID174942690
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC Name1-[(7-chloroquinolin-3-yl)methyl]-3-methoxypyrazole-4-carboxamide
SMILESCOc1nn(Cc2cnc3cc(Cl)ccc3c2)cc1C(N)=O
InChIInChI=1S/C15H13ClN4O2/c1-22-15-12(14(17)21)8-20(19-15)7-9-4-10-2-3-11(16)5-13(10)18-6-9/h2-6,8H,7H2,1H3,(H2,17,21)
InChIKeyMCMXBSQOGOFAPM-UHFFFAOYSA-N
XLogP2.24
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(7-chloroquinolin-3-yl)methyl]-3-methoxypyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(7-chloroquinolin-3-yl)methyl]-3-(methoxymethyl)pyrazole-4-carboxylic acid;2-fluoro-3-methoxybenzamide
CID 138705532
1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazole-4-carboxylic acid
CID 134178738
1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide
CID 135354589
ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-(hydroxymethyl)pyrazole-4-carboxylate
CID 134178614
3-amino-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylic acid
CID 134177987
5-(7-chloroquinolin-3-yl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylic acid
CID 155422178
methyl 2-[(7-chloroquinoline-3-carbonyl)amino]acetate
CID 110490073
3-acetyl-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylic acid;ethane
CID 145440952
sodium;1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxylic acid;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxylate;hydroxide
CID 157262145
3-[(7-chloroquinolin-3-yl)amino]-1-cyclohexylpyrazole-4-carboxamide
CID 130284430
1-[(5-chloro-2-methoxyphenyl)methyl]-4-nitropyrazole-3-carboxylic acid
CID 107345631
3-(3-chlorophenyl)-2-methoxy-5-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyridine
CID 90415803

Frequently Asked Questions

What is the IUPAC name of 1-[(7-chloroquinolin-3-yl)methyl]-3-methoxypyrazole-4-carboxamide?
The IUPAC name of 1-[(7-chloroquinolin-3-yl)methyl]-3-methoxypyrazole-4-carboxamide (CID 174942690) is 1-[(7-chloroquinolin-3-yl)methyl]-3-methoxypyrazole-4-carboxamide.
What is the SMILES notation for 1-[(7-chloroquinolin-3-yl)methyl]-3-methoxypyrazole-4-carboxamide?
The canonical SMILES for 1-[(7-chloroquinolin-3-yl)methyl]-3-methoxypyrazole-4-carboxamide is COc1nn(Cc2cnc3cc(Cl)ccc3c2)cc1C(N)=O.
What is the InChIKey of 1-[(7-chloroquinolin-3-yl)methyl]-3-methoxypyrazole-4-carboxamide?
The InChIKey is MCMXBSQOGOFAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2/c1-22-15-12(14(17)21)8-20(19-15)7-9-4-10-2-3-11(16)5-13(10)18-6-9/h2-6,8H,7H2,1H3,(H2,17,21).
What are the key properties of 1-[(7-chloroquinolin-3-yl)methyl]-3-methoxypyrazole-4-carboxamide?
1-[(7-chloroquinolin-3-yl)methyl]-3-methoxypyrazole-4-carboxamide has a molecular weight of 316.75 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-chloroquinolin-3-yl)methyl]-3-methoxypyrazole-4-carboxamide is sourced from PubChem (CID 174942690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).