2-(2,4-difluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-oxoisoquinoline-4-carboxamide

C23H23F2N3O2 — CID 4625886

IUPAC2-(2,4-difluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-oxoisoquinoline-4-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cn(-c2ccc(F)cc2F)c(=O)c2ccccc12
InChIInChI=1S/C23H23F2N3O2/c1-2-27-11-5-6-16(27)13-26-22(29)19-14-28(21-10-9-15(24)12-20(21)25)23(30)18-8-4-3-7-17(18)19/h3-4,7-10,12,14,16H,2,5-6,11,13H2,1H3,(H,26,29)
InChIKeyCFPNZGGUNSEHPV-UHFFFAOYSA-N
MW411.45 g/mol
LogP3.48
Rot. Bonds5

About 2-(2,4-difluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-oxoisoquinoline-4-carboxamide

2-(2,4-difluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-oxoisoquinoline-4-carboxamide (PubChem CID 4625886) has the molecular formula C23H23F2N3O2 and a molecular weight of 411.45 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-oxoisoquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-oxoisoquinoline-4-carboxamide
PubChem CID4625886
Molecular FormulaC23H23F2N3O2
Molecular Weight411.45 g/mol
Exact Mass411.18
IUPAC Name2-(2,4-difluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-oxoisoquinoline-4-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cn(-c2ccc(F)cc2F)c(=O)c2ccccc12
InChIInChI=1S/C23H23F2N3O2/c1-2-27-11-5-6-16(27)13-26-22(29)19-14-28(21-10-9-15(24)12-20(21)25)23(30)18-8-4-3-7-17(18)19/h3-4,7-10,12,14,16H,2,5-6,11,13H2,1H3,(H,26,29)
InChIKeyCFPNZGGUNSEHPV-UHFFFAOYSA-N
XLogP3.48
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-difluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-oxoisoquinoline-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

N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide
CID 47007650
2-(2,4-difluorophenyl)-N-(4-ethylcyclohexyl)-1-oxoisoquinoline-4-carboxamide
CID 20970512
2-(2,4-difluorophenyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-1-oxoisoquinoline-4-carboxamide
CID 98478101
2-(2,4-difluorophenyl)-4-(2-methylpiperidine-1-carbonyl)isoquinolin-1-one
CID 23987235
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide
CID 47136529
(2S,4S)-9-(2,4-difluorophenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
CID 123294108
2-(2,4-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-oxoisoquinoline-4-carboxamide
CID 4625887
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluoro-6-hydroxybenzamide
CID 47465818
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 71304903
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoropyridine-3-carboxamide
CID 107358520
2-[(3-bromobenzoyl)amino]-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluorobenzamide
CID 112823876

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-oxoisoquinoline-4-carboxamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-oxoisoquinoline-4-carboxamide (CID 4625886) is 2-(2,4-difluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-oxoisoquinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-oxoisoquinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-oxoisoquinoline-4-carboxamide is CCN1CCCC1CNC(=O)c1cn(-c2ccc(F)cc2F)c(=O)c2ccccc12.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-oxoisoquinoline-4-carboxamide?
The InChIKey is CFPNZGGUNSEHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O2/c1-2-27-11-5-6-16(27)13-26-22(29)19-14-28(21-10-9-15(24)12-20(21)25)23(30)18-8-4-3-7-17(18)19/h3-4,7-10,12,14,16H,2,5-6,11,13H2,1H3,(H,26,29).
What are the key properties of 2-(2,4-difluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-oxoisoquinoline-4-carboxamide?
2-(2,4-difluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-oxoisoquinoline-4-carboxamide has a molecular weight of 411.45 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-oxoisoquinoline-4-carboxamide is sourced from PubChem (CID 4625886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).