2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide

C17H20N4O2 — CID 117089388

IUPAC2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide
SMILESNC(=O)c1cc(NCCCN2CCCC2=O)nc2ccccc12
InChIInChI=1S/C17H20N4O2/c18-17(23)13-11-15(20-14-6-2-1-5-12(13)14)19-8-4-10-21-9-3-7-16(21)22/h1-2,5-6,11H,3-4,7-10H2,(H2,18,23)(H,19,20)
InChIKeyLKKVDWRZJDVQEW-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.76
Rot. Bonds6

About 2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide

2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide (PubChem CID 117089388) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide
PubChem CID117089388
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide
SMILESNC(=O)c1cc(NCCCN2CCCC2=O)nc2ccccc12
InChIInChI=1S/C17H20N4O2/c18-17(23)13-11-15(20-14-6-2-1-5-12(13)14)19-8-4-10-21-9-3-7-16(21)22/h1-2,5-6,11H,3-4,7-10H2,(H2,18,23)(H,19,20)
InChIKeyLKKVDWRZJDVQEW-UHFFFAOYSA-N
XLogP1.76
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-morpholin-4-ylethyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide
CID 117090394
2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide
CID 117089914
1-[3-[[4-(4-tert-butylphenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one
CID 137290595
2-(2-pyrrolidin-3-ylethylamino)quinoline-4-carboxamide
CID 63884282
ethyl 3-[(4-carbamoylquinolin-2-yl)amino]propanoate
CID 63885421
1-[3-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]propyl]pyrrolidin-2-one;hydrochloride
CID 90678470
1-[3-[[6-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117080518
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 3-ethyl-2-propylquinoline-4-carboxylate
CID 4779860
1-[3-[[2-amino-6-[(1-benzylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117087297
1-[3-[[4-(benzylamino)-6-methylpyrimidin-2-yl]amino]propyl]pyrrolidin-2-one
CID 117084974
2-(2-aminopropylamino)quinoline-4-carboxamide
CID 63884670
N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 78777422

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide?
The IUPAC name of 2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide (CID 117089388) is 2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide?
The canonical SMILES for 2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide is NC(=O)c1cc(NCCCN2CCCC2=O)nc2ccccc12.
What is the InChIKey of 2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide?
The InChIKey is LKKVDWRZJDVQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c18-17(23)13-11-15(20-14-6-2-1-5-12(13)14)19-8-4-10-21-9-3-7-16(21)22/h1-2,5-6,11H,3-4,7-10H2,(H2,18,23)(H,19,20).
What are the key properties of 2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide?
2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide is sourced from PubChem (CID 117089388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).