2,5-dioxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide

C20H19N3O4 — CID 127622913

IUPAC2,5-dioxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1CC(c2cccc(NC(=O)c3cc4c([nH]c3=O)CCCC4=O)c2)CN1
InChIInChI=1S/C20H19N3O4/c24-17-6-2-5-16-14(17)9-15(20(27)23-16)19(26)22-13-4-1-3-11(7-13)12-8-18(25)21-10-12/h1,3-4,7,9,12H,2,5-6,8,10H2,(H,21,25)(H,22,26)(H,23,27)
InChIKeyADMPNNYJQYVTME-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.75
Rot. Bonds3

About 2,5-dioxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide

2,5-dioxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 127622913) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2,5-dioxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name2,5-dioxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID127622913
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name2,5-dioxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1CC(c2cccc(NC(=O)c3cc4c([nH]c3=O)CCCC4=O)c2)CN1
InChIInChI=1S/C20H19N3O4/c24-17-6-2-5-16-14(17)9-15(20(27)23-16)19(26)22-13-4-1-3-11(7-13)12-8-18(25)21-10-12/h1,3-4,7,9,12H,2,5-6,8,10H2,(H,21,25)(H,22,26)(H,23,27)
InChIKeyADMPNNYJQYVTME-UHFFFAOYSA-N
XLogP1.75
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2,5-dioxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-1,6,7,8-tetrahydroquinoline-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

Frequently Asked Questions

What is the IUPAC name of 2,5-dioxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 2,5-dioxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 127622913) is 2,5-dioxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 2,5-dioxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 2,5-dioxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide is O=C1CC(c2cccc(NC(=O)c3cc4c([nH]c3=O)CCCC4=O)c2)CN1.
What is the InChIKey of 2,5-dioxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is ADMPNNYJQYVTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c24-17-6-2-5-16-14(17)9-15(20(27)23-16)19(26)22-13-4-1-3-11(7-13)12-8-18(25)21-10-12/h1,3-4,7,9,12H,2,5-6,8,10H2,(H,21,25)(H,22,26)(H,23,27).
What are the key properties of 2,5-dioxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide?
2,5-dioxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 127622913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).