2-cyclopropyl-1-oxoisoquinoline-3-carboxamide

C13H12N2O2 — CID 171704244

IUPAC2-cyclopropyl-1-oxoisoquinoline-3-carboxamide
SMILESNC(=O)c1cc2ccccc2c(=O)n1C1CC1
InChIInChI=1S/C13H12N2O2/c14-12(16)11-7-8-3-1-2-4-10(8)13(17)15(11)9-5-6-9/h1-4,7,9H,5-6H2,(H2,14,16)
InChIKeyODEZWFKLKNQBDL-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.44
Rot. Bonds2

About 2-cyclopropyl-1-oxoisoquinoline-3-carboxamide

2-cyclopropyl-1-oxoisoquinoline-3-carboxamide (PubChem CID 171704244) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-cyclopropyl-1-oxoisoquinoline-3-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-1-oxoisoquinoline-3-carboxamide
PubChem CID171704244
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name2-cyclopropyl-1-oxoisoquinoline-3-carboxamide
SMILESNC(=O)c1cc2ccccc2c(=O)n1C1CC1
InChIInChI=1S/C13H12N2O2/c14-12(16)11-7-8-3-1-2-4-10(8)13(17)15(11)9-5-6-9/h1-4,7,9H,5-6H2,(H2,14,16)
InChIKeyODEZWFKLKNQBDL-UHFFFAOYSA-N
XLogP1.44
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(morpholine-4-carbonyl)isoquinolin-1-one
CID 171704289
2-methyl-1-oxoisoquinoline-3-carboxamide
CID 171701094
3-(1-aminoethyl)-2-cyclopropylisoquinolin-1-one
CID 175300305
2-cyclobutyl-N-(2,4-dimethylphenyl)-1-oxoisoquinoline-3-carboxamide
CID 171999865
3-amino-2-(2,3-dihydro-1H-inden-2-yl)isoquinolin-1-one
CID 107853582
2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxylic acid
CID 172901532
N,2-dicyclopropyl-7-methyl-1-oxoisoquinoline-3-carboxamide
CID 172891613
2-(2-amino-2-oxoethyl)-1-oxoisoquinoline-3-carboxylic acid
CID 82366655
2-cyclopropyl-6-methoxy-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide
CID 172903097
1-cyclopentyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 67034428
2-cyclopropyl-6-methoxy-1-oxo-N-(2-phenylethyl)isoquinoline-3-carboxamide
CID 172904811
6-cyclododecylbenzo[d][2]benzazepine-5,7-dione
CID 4990028

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-oxoisoquinoline-3-carboxamide?
The IUPAC name of 2-cyclopropyl-1-oxoisoquinoline-3-carboxamide (CID 171704244) is 2-cyclopropyl-1-oxoisoquinoline-3-carboxamide.
What is the SMILES notation for 2-cyclopropyl-1-oxoisoquinoline-3-carboxamide?
The canonical SMILES for 2-cyclopropyl-1-oxoisoquinoline-3-carboxamide is NC(=O)c1cc2ccccc2c(=O)n1C1CC1.
What is the InChIKey of 2-cyclopropyl-1-oxoisoquinoline-3-carboxamide?
The InChIKey is ODEZWFKLKNQBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c14-12(16)11-7-8-3-1-2-4-10(8)13(17)15(11)9-5-6-9/h1-4,7,9H,5-6H2,(H2,14,16).
What are the key properties of 2-cyclopropyl-1-oxoisoquinoline-3-carboxamide?
2-cyclopropyl-1-oxoisoquinoline-3-carboxamide has a molecular weight of 228.25 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-oxoisoquinoline-3-carboxamide is sourced from PubChem (CID 171704244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).