6,7-difluoro-N-methyl-1-oxo-2-propylisoquinoline-3-carboxamide

C14H14F2N2O2 — CID 171998675

IUPAC6,7-difluoro-N-methyl-1-oxo-2-propylisoquinoline-3-carboxamide
SMILESCCCn1c(C(=O)NC)cc2cc(F)c(F)cc2c1=O
InChIInChI=1S/C14H14F2N2O2/c1-3-4-18-12(13(19)17-2)6-8-5-10(15)11(16)7-9(8)14(18)20/h5-7H,3-4H2,1-2H3,(H,17,19)
InChIKeyVZBJVIZNSMPJNR-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.05
Rot. Bonds3

About 6,7-difluoro-N-methyl-1-oxo-2-propylisoquinoline-3-carboxamide

6,7-difluoro-N-methyl-1-oxo-2-propylisoquinoline-3-carboxamide (PubChem CID 171998675) has the molecular formula C14H14F2N2O2 and a molecular weight of 280.27 g/mol. Its IUPAC name is 6,7-difluoro-N-methyl-1-oxo-2-propylisoquinoline-3-carboxamide.

Molecular Properties

Compound Name6,7-difluoro-N-methyl-1-oxo-2-propylisoquinoline-3-carboxamide
PubChem CID171998675
Molecular FormulaC14H14F2N2O2
Molecular Weight280.27 g/mol
Exact Mass280.10
IUPAC Name6,7-difluoro-N-methyl-1-oxo-2-propylisoquinoline-3-carboxamide
SMILESCCCn1c(C(=O)NC)cc2cc(F)c(F)cc2c1=O
InChIInChI=1S/C14H14F2N2O2/c1-3-4-18-12(13(19)17-2)6-8-5-10(15)11(16)7-9(8)14(18)20/h5-7H,3-4H2,1-2H3,(H,17,19)
InChIKeyVZBJVIZNSMPJNR-UHFFFAOYSA-N
XLogP2.05
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,7-difluoro-N-methyl-1-oxo-2-propylisoquinoline-3-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

6,7-difluoro-1-oxo-2-propyl-N-(2,2,2-trifluoroethyl)isoquinoline-3-carboxamide
CID 171998912
2-butyl-6,7-difluoro-1-oxo-N-propylisoquinoline-3-carboxamide
CID 171999515
N-ethyl-7-fluoro-1-oxo-2-propylisoquinoline-3-carboxamide
CID 172904064
N-(4-fluorophenyl)-7-methyl-1-oxo-2-propylisoquinoline-3-carboxamide
CID 172905785
7-fluoro-1-oxo-2-propylisoquinoline-3-carboxylic acid
CID 172904081
7-methyl-1-oxo-N,2-dipropylisoquinoline-3-carboxamide
CID 172904548
2-ethyl-6-methoxy-N-methyl-1-oxoisoquinoline-3-carboxamide
CID 172902930
7-fluoro-1-oxo-2-propyl-N-(pyridin-3-ylmethyl)isoquinoline-3-carboxamide
CID 172904800
1-oxo-N-prop-2-enyl-2-propylisoquinoline-3-carboxamide
CID 171704567
6-methoxy-N-(4-methylphenyl)-1-oxo-2-propylisoquinoline-3-carboxamide
CID 175651926
6-methoxy-1-oxo-N-prop-2-enyl-2-propylisoquinoline-3-carboxamide
CID 175651448
2-ethyl-7-fluoro-N-(4-fluorophenyl)-1-oxoisoquinoline-3-carboxamide
CID 172904651

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-N-methyl-1-oxo-2-propylisoquinoline-3-carboxamide?
The IUPAC name of 6,7-difluoro-N-methyl-1-oxo-2-propylisoquinoline-3-carboxamide (CID 171998675) is 6,7-difluoro-N-methyl-1-oxo-2-propylisoquinoline-3-carboxamide.
What is the SMILES notation for 6,7-difluoro-N-methyl-1-oxo-2-propylisoquinoline-3-carboxamide?
The canonical SMILES for 6,7-difluoro-N-methyl-1-oxo-2-propylisoquinoline-3-carboxamide is CCCn1c(C(=O)NC)cc2cc(F)c(F)cc2c1=O.
What is the InChIKey of 6,7-difluoro-N-methyl-1-oxo-2-propylisoquinoline-3-carboxamide?
The InChIKey is VZBJVIZNSMPJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2/c1-3-4-18-12(13(19)17-2)6-8-5-10(15)11(16)7-9(8)14(18)20/h5-7H,3-4H2,1-2H3,(H,17,19).
What are the key properties of 6,7-difluoro-N-methyl-1-oxo-2-propylisoquinoline-3-carboxamide?
6,7-difluoro-N-methyl-1-oxo-2-propylisoquinoline-3-carboxamide has a molecular weight of 280.27 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-N-methyl-1-oxo-2-propylisoquinoline-3-carboxamide is sourced from PubChem (CID 171998675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).