7-fluoro-N-[3-(5-oxopyrrolidin-2-yl)phenyl]isoquinoline-6-carboxamide

C20H16FN3O2 — CID 167861382

IUPAC7-fluoro-N-[3-(5-oxopyrrolidin-2-yl)phenyl]isoquinoline-6-carboxamide
SMILESO=C1CCC(c2cccc(NC(=O)c3cc4ccncc4cc3F)c2)N1
InChIInChI=1S/C20H16FN3O2/c21-17-10-14-11-22-7-6-12(14)9-16(17)20(26)23-15-3-1-2-13(8-15)18-4-5-19(25)24-18/h1-3,6-11,18H,4-5H2,(H,23,26)(H,24,25)
InChIKeyONKYSOXMZZKUAJ-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.58
Rot. Bonds3

About 7-fluoro-N-[3-(5-oxopyrrolidin-2-yl)phenyl]isoquinoline-6-carboxamide

7-fluoro-N-[3-(5-oxopyrrolidin-2-yl)phenyl]isoquinoline-6-carboxamide (PubChem CID 167861382) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 7-fluoro-N-[3-(5-oxopyrrolidin-2-yl)phenyl]isoquinoline-6-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[3-(5-oxopyrrolidin-2-yl)phenyl]isoquinoline-6-carboxamide
PubChem CID167861382
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name7-fluoro-N-[3-(5-oxopyrrolidin-2-yl)phenyl]isoquinoline-6-carboxamide
SMILESO=C1CCC(c2cccc(NC(=O)c3cc4ccncc4cc3F)c2)N1
InChIInChI=1S/C20H16FN3O2/c21-17-10-14-11-22-7-6-12(14)9-16(17)20(26)23-15-3-1-2-13(8-15)18-4-5-19(25)24-18/h1-3,6-11,18H,4-5H2,(H,23,26)(H,24,25)
InChIKeyONKYSOXMZZKUAJ-UHFFFAOYSA-N
XLogP3.58
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[3-(5-oxopyrrolidin-2-yl)phenyl]pyridine-3-carboxamide
CID 167991293
N-[3-(5-oxopyrrolidin-2-yl)phenyl]-2-phenoxybenzamide
CID 167859238
N-[3-(5-oxopyrrolidin-2-yl)phenyl]-2-phenoxyacetamide
CID 167939156
4-methyl-N-[3-(6-oxopiperidin-2-yl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 166252573
1-benzyl-3,5-dimethyl-N-[3-(5-oxopyrrolidin-2-yl)phenyl]pyrazole-4-carboxamide
CID 166237160
5-pyridin-4-ylpyrrolidin-2-one
CID 130009175
1-(2-methyl-4-pyridin-2-yloxyphenyl)-3-[3-(5-oxopyrrolidin-2-yl)phenyl]urea
CID 167852106
5-[3-(5-phenoxypentylamino)phenyl]pyrrolidin-2-one
CID 167864615
5-[3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]pyrrolidin-2-one
CID 167950434
(5R,7S)-5-(3-methoxyphenyl)-N-pyridin-3-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1141256
(5S,7R)-5-(3-methoxyphenyl)-N-pyridin-3-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1141263
N-[3-(6-oxopiperidin-2-yl)phenyl]-1-piperidin-3-ylpyrazole-4-carboxamide
CID 166251956

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[3-(5-oxopyrrolidin-2-yl)phenyl]isoquinoline-6-carboxamide?
The IUPAC name of 7-fluoro-N-[3-(5-oxopyrrolidin-2-yl)phenyl]isoquinoline-6-carboxamide (CID 167861382) is 7-fluoro-N-[3-(5-oxopyrrolidin-2-yl)phenyl]isoquinoline-6-carboxamide.
What is the SMILES notation for 7-fluoro-N-[3-(5-oxopyrrolidin-2-yl)phenyl]isoquinoline-6-carboxamide?
The canonical SMILES for 7-fluoro-N-[3-(5-oxopyrrolidin-2-yl)phenyl]isoquinoline-6-carboxamide is O=C1CCC(c2cccc(NC(=O)c3cc4ccncc4cc3F)c2)N1.
What is the InChIKey of 7-fluoro-N-[3-(5-oxopyrrolidin-2-yl)phenyl]isoquinoline-6-carboxamide?
The InChIKey is ONKYSOXMZZKUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c21-17-10-14-11-22-7-6-12(14)9-16(17)20(26)23-15-3-1-2-13(8-15)18-4-5-19(25)24-18/h1-3,6-11,18H,4-5H2,(H,23,26)(H,24,25).
What are the key properties of 7-fluoro-N-[3-(5-oxopyrrolidin-2-yl)phenyl]isoquinoline-6-carboxamide?
7-fluoro-N-[3-(5-oxopyrrolidin-2-yl)phenyl]isoquinoline-6-carboxamide has a molecular weight of 349.37 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[3-(5-oxopyrrolidin-2-yl)phenyl]isoquinoline-6-carboxamide is sourced from PubChem (CID 167861382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).