2-(furan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]quinoline-4-carboxamide

C25H21N3O3 — CID 39004028

IUPAC2-(furan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]quinoline-4-carboxamide
SMILESO=C(NCc1cccc(N2CCCC2=O)c1)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C25H21N3O3/c29-24-11-4-12-28(24)18-7-3-6-17(14-18)16-26-25(30)20-15-22(23-10-5-13-31-23)27-21-9-2-1-8-19(20)21/h1-3,5-10,13-15H,4,11-12,16H2,(H,26,30)
InChIKeyNNFCDPCUBLPBPO-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.55
Rot. Bonds5

About 2-(furan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]quinoline-4-carboxamide

2-(furan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]quinoline-4-carboxamide (PubChem CID 39004028) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]quinoline-4-carboxamide
PubChem CID39004028
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Name2-(furan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]quinoline-4-carboxamide
SMILESO=C(NCc1cccc(N2CCCC2=O)c1)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C25H21N3O3/c29-24-11-4-12-28(24)18-7-3-6-17(14-18)16-26-25(30)20-15-22(23-10-5-13-31-23)27-21-9-2-1-8-19(20)21/h1-3,5-10,13-15H,4,11-12,16H2,(H,26,30)
InChIKeyNNFCDPCUBLPBPO-UHFFFAOYSA-N
XLogP4.55
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 42749451
2-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]quinoline-4-carboxamide
CID 39515438
2-(furan-2-yl)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]quinoline-4-carboxamide
CID 46443064
N-[(2-fluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 4847591
4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
N-[2-(3-chlorophenyl)ethyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 4124660
2-(furan-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide
CID 39339230
5-methyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 39003298
N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 55815215
2-(furan-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-4-carboxamide
CID 78813275
N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 52505812
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 52505811

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]quinoline-4-carboxamide (CID 39004028) is 2-(furan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]quinoline-4-carboxamide is O=C(NCc1cccc(N2CCCC2=O)c1)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of 2-(furan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]quinoline-4-carboxamide?
The InChIKey is NNFCDPCUBLPBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c29-24-11-4-12-28(24)18-7-3-6-17(14-18)16-26-25(30)20-15-22(23-10-5-13-31-23)27-21-9-2-1-8-19(20)21/h1-3,5-10,13-15H,4,11-12,16H2,(H,26,30).
What are the key properties of 2-(furan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]quinoline-4-carboxamide?
2-(furan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]quinoline-4-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]quinoline-4-carboxamide is sourced from PubChem (CID 39004028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).