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

C24H18ClN3O3 — CID 2872493

IUPAC3-[2-acetyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one
SMILESCC(=O)N1N=C(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)CC1c1ccco1
InChIInChI=1S/C24H18ClN3O3/c1-14(29)28-20(21-8-5-11-31-21)13-19(27-28)23-22(15-6-3-2-4-7-15)17-12-16(25)9-10-18(17)26-24(23)30/h2-12,20H,13H2,1H3,(H,26,30)
InChIKeyAVIBQVYHMOXFCZ-UHFFFAOYSA-N
MW431.88 g/mol
LogP5.14
Rot. Bonds3

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

3-[2-acetyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one (PubChem CID 2872493) has the molecular formula C24H18ClN3O3 and a molecular weight of 431.88 g/mol. Its IUPAC name is 3-[2-acetyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-acetyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one
PubChem CID2872493
Molecular FormulaC24H18ClN3O3
Molecular Weight431.88 g/mol
Exact Mass431.10
IUPAC Name3-[2-acetyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one
SMILESCC(=O)N1N=C(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)CC1c1ccco1
InChIInChI=1S/C24H18ClN3O3/c1-14(29)28-20(21-8-5-11-31-21)13-19(27-28)23-22(15-6-3-2-4-7-15)17-12-16(25)9-10-18(17)26-24(23)30/h2-12,20H,13H2,1H3,(H,26,30)
InChIKeyAVIBQVYHMOXFCZ-UHFFFAOYSA-N
XLogP5.14
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.88
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-5-(2-furyl)-1-phenyl-4,5-dihydro-1H-pyrazole
CID 2834912
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4-[(3E)-3-(6-chloro-2-oxo-4-phenylquinolin-3-ylidene)-5-(furan-2-yl)pyrazolidin-1-yl]-4-oxobutanoic acid
CID 3123256
6-chloro-3-[3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
CID 4246127
N-{4-[1-(4-Chlorobenzoyl)-5-(furan-2-YL)-4,5-dihydro-1H-pyrazol-3-YL]phenyl}methanesulfonamide
CID 5082227
3-chloro-4-fluoro-N-(2-furylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 44634335
US11591319, ID lqr-8-203
CID 156293710
6-chloro-3-[5-(2-furyl)-1-propionyl-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-2(1H)-quinolinone
CID 2952998
6-chloro-3-[5-(2-furyl)-1-(tetrahydro-2-furanylcarbonyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-2(1H)-quinolinone
CID 2963413
2-[7-chloro-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-1-yl]-N-(2-furylmethyl)acetamide
CID 3242322
3-[1-Acetyl-5-(2-furanyl)-3-pyrazolidinylidene]-6-bromo-4-phenyl-2-quinolinone
CID 3682341
2-(3-butan-2-yl-7-chloranyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(furan-2-ylmethyl)ethanamide
CID 9550458

Frequently Asked Questions

What is the IUPAC name of 3-[2-acetyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 3-[2-acetyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one (CID 2872493) is 3-[2-acetyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-acetyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 3-[2-acetyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one is CC(=O)N1N=C(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)CC1c1ccco1.
What is the InChIKey of 3-[2-acetyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one?
The InChIKey is AVIBQVYHMOXFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O3/c1-14(29)28-20(21-8-5-11-31-21)13-19(27-28)23-22(15-6-3-2-4-7-15)17-12-16(25)9-10-18(17)26-24(23)30/h2-12,20H,13H2,1H3,(H,26,30).
What are the key properties of 3-[2-acetyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one?
3-[2-acetyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one has a molecular weight of 431.88 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-acetyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 2872493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).