3-[3-[3-(furan-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one

C20H20N2O3 — CID 110424560

IUPAC3-[3-[3-(furan-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one
SMILESO=C(CCc1cc2ccccc2[nH]c1=O)N1CCC(c2ccco2)C1
InChIInChI=1S/C20H20N2O3/c23-19(22-10-9-16(13-22)18-6-3-11-25-18)8-7-15-12-14-4-1-2-5-17(14)21-20(15)24/h1-6,11-12,16H,7-10,13H2,(H,21,24)
InChIKeyMUESOJBOMGEOSY-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.07
Rot. Bonds4

About 3-[3-[3-(furan-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one

3-[3-[3-(furan-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one (PubChem CID 110424560) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-[3-[3-(furan-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[3-[3-(furan-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one
PubChem CID110424560
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3-[3-[3-(furan-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one
SMILESO=C(CCc1cc2ccccc2[nH]c1=O)N1CCC(c2ccco2)C1
InChIInChI=1S/C20H20N2O3/c23-19(22-10-9-16(13-22)18-6-3-11-25-18)8-7-15-12-14-4-1-2-5-17(14)21-20(15)24/h1-6,11-12,16H,7-10,13H2,(H,21,24)
InChIKeyMUESOJBOMGEOSY-UHFFFAOYSA-N
XLogP3.07
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
CID 110355917
methyl 4-[3-(furan-2-yl)pyrrolidin-1-yl]-4-oxobutanoate
CID 110667373
3-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1H-quinolin-2-one
CID 124628242
1-(4-fluorophenyl)-5-[3-(furan-2-yl)pyrrolidin-1-yl]pentane-1,5-dione
CID 110421538
3-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1H-quinolin-2-one
CID 110330988
3-(furan-2-yl)pyrrolidine-1-carboxamide
CID 131041480
3-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-1H-quinolin-2-one
CID 56817964
7-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-quinolin-2-one
CID 53174869
1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]urea
CID 167928804
2-[1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidin-4-yl]acetamide
CID 56815967
3-(furan-2-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110413242
N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide
CID 4886888

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(furan-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one?
The IUPAC name of 3-[3-[3-(furan-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one (CID 110424560) is 3-[3-[3-(furan-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[3-[3-(furan-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[3-[3-(furan-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one is O=C(CCc1cc2ccccc2[nH]c1=O)N1CCC(c2ccco2)C1.
What is the InChIKey of 3-[3-[3-(furan-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one?
The InChIKey is MUESOJBOMGEOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-19(22-10-9-16(13-22)18-6-3-11-25-18)8-7-15-12-14-4-1-2-5-17(14)21-20(15)24/h1-6,11-12,16H,7-10,13H2,(H,21,24).
What are the key properties of 3-[3-[3-(furan-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one?
3-[3-[3-(furan-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one has a molecular weight of 336.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(furan-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one is sourced from PubChem (CID 110424560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).