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

C17H21N3O4 — CID 39888703

IUPAC2,5-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1CCCc2[nH]c(=O)c(C(=O)NCCCN3CCCC3=O)cc21
InChIInChI=1S/C17H21N3O4/c21-14-5-1-4-13-11(14)10-12(17(24)19-13)16(23)18-7-3-9-20-8-2-6-15(20)22/h10H,1-9H2,(H,18,23)(H,19,24)
InChIKeyYKYJISWVAWWXTI-UHFFFAOYSA-N
MW331.37 g/mol
LogP0.64
Rot. Bonds5

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

2,5-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 39888703) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2,5-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name2,5-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID39888703
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2,5-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1CCCc2[nH]c(=O)c(C(=O)NCCCN3CCCC3=O)cc21
InChIInChI=1S/C17H21N3O4/c21-14-5-1-4-13-11(14)10-12(17(24)19-13)16(23)18-7-3-9-20-8-2-6-15(20)22/h10H,1-9H2,(H,18,23)(H,19,24)
InChIKeyYKYJISWVAWWXTI-UHFFFAOYSA-N
XLogP0.64
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,5-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide with MolForge

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Related Compounds

N-(3-morpholin-4-ylpropyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495547
N-(2-methoxyethyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36656888
2-tert-butyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrimidine-5-carboxamide
CID 70740259
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyridine-3-carboxamide
CID 34842840
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-quinoline-4-carboxamide
CID 42992469
2,5-dioxo-N-(2-thiophen-3-ylethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 51078200
4,5-dichloro-N-[3-(2-oxoazepan-1-yl)propyl]-1H-pyrrole-2-carboxamide
CID 78833609
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 35991644
1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide;hydrochloride
CID 45284452
5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-3-carboxamide
CID 2225281
2-oxo-N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
CID 119394055
2-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide
CID 30483231

Frequently Asked Questions

What is the IUPAC name of 2,5-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 2,5-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 39888703) is 2,5-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 2,5-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 2,5-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide is O=C1CCCc2[nH]c(=O)c(C(=O)NCCCN3CCCC3=O)cc21.
What is the InChIKey of 2,5-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is YKYJISWVAWWXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c21-14-5-1-4-13-11(14)10-12(17(24)19-13)16(23)18-7-3-9-20-8-2-6-15(20)22/h10H,1-9H2,(H,18,23)(H,19,24).
What are the key properties of 2,5-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide?
2,5-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 39888703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).