8-(4-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide

C24H24FN3O2 — CID 46334671

IUPAC8-(4-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCCN2CCCC2=O)c2cccc(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C24H24FN3O2/c1-16-15-21(24(30)26-12-4-14-28-13-3-7-22(28)29)20-6-2-5-19(23(20)27-16)17-8-10-18(25)11-9-17/h2,5-6,8-11,15H,3-4,7,12-14H2,1H3,(H,26,30)
InChIKeyZDZLBSFMXLFKSV-UHFFFAOYSA-N
MW405.47 g/mol
LogP4.09
Rot. Bonds6

About 8-(4-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide

8-(4-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide (PubChem CID 46334671) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name8-(4-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide
PubChem CID46334671
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name8-(4-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCCN2CCCC2=O)c2cccc(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C24H24FN3O2/c1-16-15-21(24(30)26-12-4-14-28-13-3-7-22(28)29)20-6-2-5-19(23(20)27-16)17-8-10-18(25)11-9-17/h2,5-6,8-11,15H,3-4,7,12-14H2,1H3,(H,26,30)
InChIKeyZDZLBSFMXLFKSV-UHFFFAOYSA-N
XLogP4.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide
CID 30482177
2-methyl-8-phenyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]quinoline-4-carboxamide
CID 46334639
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-quinoline-4-carboxamide
CID 42992469
2,3-bis(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoxaline-6-carboxamide
CID 22588028
3-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051668
1-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915361
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 30483403
N-[3-(diethylamino)propyl]-2-methyl-8-phenylquinoline-4-carboxamide
CID 46334607
6-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide
CID 62233313
3-[(4-fluorophenyl)sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 25161910
2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide
CID 71791436
2-(difluoromethoxy)-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 78777512

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide?
The IUPAC name of 8-(4-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide (CID 46334671) is 8-(4-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide.
What is the SMILES notation for 8-(4-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide?
The canonical SMILES for 8-(4-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide is Cc1cc(C(=O)NCCCN2CCCC2=O)c2cccc(-c3ccc(F)cc3)c2n1.
What is the InChIKey of 8-(4-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide?
The InChIKey is ZDZLBSFMXLFKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c1-16-15-21(24(30)26-12-4-14-28-13-3-7-22(28)29)20-6-2-5-19(23(20)27-16)17-8-10-18(25)11-9-17/h2,5-6,8-11,15H,3-4,7,12-14H2,1H3,(H,26,30).
What are the key properties of 8-(4-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide?
8-(4-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide has a molecular weight of 405.47 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide is sourced from PubChem (CID 46334671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).