3-[2-acetyl-5-(furan-2-yl)-3,4-dihydropyrazol-3-yl]-6-methyl-1H-quinolin-2-one

C19H17N3O3 — CID 3740340

IUPAC3-[2-acetyl-5-(furan-2-yl)-3,4-dihydropyrazol-3-yl]-6-methyl-1H-quinolin-2-one
SMILESCC(=O)N1N=C(c2ccco2)CC1c1cc2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C19H17N3O3/c1-11-5-6-15-13(8-11)9-14(19(24)20-15)17-10-16(18-4-3-7-25-18)21-22(17)12(2)23/h3-9,17H,10H2,1-2H3,(H,20,24)
InChIKeyJVAYHGRGBXOOJL-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.13
Rot. Bonds2

About 3-[2-acetyl-5-(furan-2-yl)-3,4-dihydropyrazol-3-yl]-6-methyl-1H-quinolin-2-one

3-[2-acetyl-5-(furan-2-yl)-3,4-dihydropyrazol-3-yl]-6-methyl-1H-quinolin-2-one (PubChem CID 3740340) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 3-[2-acetyl-5-(furan-2-yl)-3,4-dihydropyrazol-3-yl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-acetyl-5-(furan-2-yl)-3,4-dihydropyrazol-3-yl]-6-methyl-1H-quinolin-2-one
PubChem CID3740340
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name3-[2-acetyl-5-(furan-2-yl)-3,4-dihydropyrazol-3-yl]-6-methyl-1H-quinolin-2-one
SMILESCC(=O)N1N=C(c2ccco2)CC1c1cc2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C19H17N3O3/c1-11-5-6-15-13(8-11)9-14(19(24)20-15)17-10-16(18-4-3-7-25-18)21-22(17)12(2)23/h3-9,17H,10H2,1-2H3,(H,20,24)
InChIKeyJVAYHGRGBXOOJL-UHFFFAOYSA-N
XLogP3.13
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-acetyl-5-(furan-2-yl)-3,4-dihydropyrazol-3-yl]-6-methyl-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3R)-3-(2,4-dichlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 949988
1-[5-(furan-2-yl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 53317215
1-[(3R)-3-(3-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 97092958
1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 86820159
4-[(3R)-3-(7-methyl-2-oxo-1H-quinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 7392414
N-[3-[2-acetyl-5-(furan-2-yl)-3,4-dihydropyrazol-3-yl]phenyl]acetamide
CID 75510806
1-[5-(furan-2-yl)-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 15716865
3-[(3S)-2-acetyl-3-(2-chlorophenyl)-3,4-dihydropyrazol-5-yl]-6-methyl-4-phenyl-1H-quinolin-2-one
CID 135933517
[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone
CID 7164021
3-[(3S)-2-acetyl-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-6-methyl-4-phenyl-1H-quinolin-2-one
CID 136718248
[5-(furan-2-yl)-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 71779741
3-[(3R)-2-acetyl-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]-6-methyl-4-phenyl-1H-quinolin-2-one
CID 136743261

Frequently Asked Questions

What is the IUPAC name of 3-[2-acetyl-5-(furan-2-yl)-3,4-dihydropyrazol-3-yl]-6-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[2-acetyl-5-(furan-2-yl)-3,4-dihydropyrazol-3-yl]-6-methyl-1H-quinolin-2-one (CID 3740340) is 3-[2-acetyl-5-(furan-2-yl)-3,4-dihydropyrazol-3-yl]-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-acetyl-5-(furan-2-yl)-3,4-dihydropyrazol-3-yl]-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[2-acetyl-5-(furan-2-yl)-3,4-dihydropyrazol-3-yl]-6-methyl-1H-quinolin-2-one is CC(=O)N1N=C(c2ccco2)CC1c1cc2cc(C)ccc2[nH]c1=O.
What is the InChIKey of 3-[2-acetyl-5-(furan-2-yl)-3,4-dihydropyrazol-3-yl]-6-methyl-1H-quinolin-2-one?
The InChIKey is JVAYHGRGBXOOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-11-5-6-15-13(8-11)9-14(19(24)20-15)17-10-16(18-4-3-7-25-18)21-22(17)12(2)23/h3-9,17H,10H2,1-2H3,(H,20,24).
What are the key properties of 3-[2-acetyl-5-(furan-2-yl)-3,4-dihydropyrazol-3-yl]-6-methyl-1H-quinolin-2-one?
3-[2-acetyl-5-(furan-2-yl)-3,4-dihydropyrazol-3-yl]-6-methyl-1H-quinolin-2-one has a molecular weight of 335.36 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-acetyl-5-(furan-2-yl)-3,4-dihydropyrazol-3-yl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 3740340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).