N,2-dicyclopropyl-7-methyl-1-oxoisoquinoline-3-carboxamide

C17H18N2O2 — CID 172891613

IUPACN,2-dicyclopropyl-7-methyl-1-oxoisoquinoline-3-carboxamide
SMILESCc1ccc2cc(C(=O)NC3CC3)n(C3CC3)c(=O)c2c1
InChIInChI=1S/C17H18N2O2/c1-10-2-3-11-9-15(16(20)18-12-4-5-12)19(13-6-7-13)17(21)14(11)8-10/h2-3,8-9,12-13H,4-7H2,1H3,(H,18,20)
InChIKeyCAFCEOSHLBRZKF-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.54
Rot. Bonds3

About N,2-dicyclopropyl-7-methyl-1-oxoisoquinoline-3-carboxamide

N,2-dicyclopropyl-7-methyl-1-oxoisoquinoline-3-carboxamide (PubChem CID 172891613) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N,2-dicyclopropyl-7-methyl-1-oxoisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN,2-dicyclopropyl-7-methyl-1-oxoisoquinoline-3-carboxamide
PubChem CID172891613
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN,2-dicyclopropyl-7-methyl-1-oxoisoquinoline-3-carboxamide
SMILESCc1ccc2cc(C(=O)NC3CC3)n(C3CC3)c(=O)c2c1
InChIInChI=1S/C17H18N2O2/c1-10-2-3-11-9-15(16(20)18-12-4-5-12)19(13-6-7-13)17(21)14(11)8-10/h2-3,8-9,12-13H,4-7H2,1H3,(H,18,20)
InChIKeyCAFCEOSHLBRZKF-UHFFFAOYSA-N
XLogP2.54
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-7-methyl-1-oxo-N-pyridin-4-ylisoquinoline-3-carboxamide
CID 175651029
N-cyclobutyl-2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxamide
CID 172902870
2-cyclobutyl-N-(2,4-dimethylphenyl)-1-oxoisoquinoline-3-carboxamide
CID 171999865
2,7-dimethyl-1-oxo-N-propylisoquinoline-3-carboxamide
CID 172892790
1-bromo-N-(1,1-dimethylsilinan-4-yl)-6-methylindole-2-carboxamide
CID 175771292
7-methyl-1-oxo-N,2-dipropylisoquinoline-3-carboxamide
CID 172904548
N-cyclopropyl-1,4-dimethylindole-2-carboxamide
CID 110847973
2-amino-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 141105148
2-cyclopropyl-6-methoxy-1-oxo-N-(2-phenylethyl)isoquinoline-3-carboxamide
CID 172904811
2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxylic acid
CID 172901532
N-(4-hydroxycyclohexyl)-6-methyl-1H-indole-2-carboxamide
CID 110885323
N-(2,4-difluorophenyl)-2-methoxy-7-methyl-1-oxoisoquinoline-3-carboxamide
CID 172905779

Frequently Asked Questions

What is the IUPAC name of N,2-dicyclopropyl-7-methyl-1-oxoisoquinoline-3-carboxamide?
The IUPAC name of N,2-dicyclopropyl-7-methyl-1-oxoisoquinoline-3-carboxamide (CID 172891613) is N,2-dicyclopropyl-7-methyl-1-oxoisoquinoline-3-carboxamide.
What is the SMILES notation for N,2-dicyclopropyl-7-methyl-1-oxoisoquinoline-3-carboxamide?
The canonical SMILES for N,2-dicyclopropyl-7-methyl-1-oxoisoquinoline-3-carboxamide is Cc1ccc2cc(C(=O)NC3CC3)n(C3CC3)c(=O)c2c1.
What is the InChIKey of N,2-dicyclopropyl-7-methyl-1-oxoisoquinoline-3-carboxamide?
The InChIKey is CAFCEOSHLBRZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-10-2-3-11-9-15(16(20)18-12-4-5-12)19(13-6-7-13)17(21)14(11)8-10/h2-3,8-9,12-13H,4-7H2,1H3,(H,18,20).
What are the key properties of N,2-dicyclopropyl-7-methyl-1-oxoisoquinoline-3-carboxamide?
N,2-dicyclopropyl-7-methyl-1-oxoisoquinoline-3-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dicyclopropyl-7-methyl-1-oxoisoquinoline-3-carboxamide is sourced from PubChem (CID 172891613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).