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

C27H22ClN3O4 — CID 2963413

IUPAC6-chloro-3-[3-(furan-2-yl)-2-(oxolane-2-carbonyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
SMILESO=C(C1CCCO1)N1N=C(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)CC1c1ccco1
InChIInChI=1S/C27H22ClN3O4/c28-17-10-11-19-18(14-17)24(16-6-2-1-3-7-16)25(26(32)29-19)20-15-21(22-8-4-12-34-22)31(30-20)27(33)23-9-5-13-35-23/h1-4,6-8,10-12,14,21,23H,5,9,13,15H2,(H,29,32)
InChIKeyLPSPPBVIEONBBY-UHFFFAOYSA-N
MW487.94 g/mol
LogP5.30
Rot. Bonds4

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

6-chloro-3-[3-(furan-2-yl)-2-(oxolane-2-carbonyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one (PubChem CID 2963413) has the molecular formula C27H22ClN3O4 and a molecular weight of 487.94 g/mol. Its IUPAC name is 6-chloro-3-[3-(furan-2-yl)-2-(oxolane-2-carbonyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[3-(furan-2-yl)-2-(oxolane-2-carbonyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
PubChem CID2963413
Molecular FormulaC27H22ClN3O4
Molecular Weight487.94 g/mol
Exact Mass487.13
IUPAC Name6-chloro-3-[3-(furan-2-yl)-2-(oxolane-2-carbonyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
SMILESO=C(C1CCCO1)N1N=C(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)CC1c1ccco1
InChIInChI=1S/C27H22ClN3O4/c28-17-10-11-19-18(14-17)24(16-6-2-1-3-7-16)25(26(32)29-19)20-15-21(22-8-4-12-34-22)31(30-20)27(33)23-9-5-13-35-23/h1-4,6-8,10-12,14,21,23H,5,9,13,15H2,(H,29,32)
InChIKeyLPSPPBVIEONBBY-UHFFFAOYSA-N
XLogP5.30
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.94
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-3-[3-(furan-2-yl)-2-(oxolane-2-carbonyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[3-(furan-2-yl)-2-(oxolane-2-carbonyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[3-(furan-2-yl)-2-(oxolane-2-carbonyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one (CID 2963413) is 6-chloro-3-[3-(furan-2-yl)-2-(oxolane-2-carbonyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[3-(furan-2-yl)-2-(oxolane-2-carbonyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[3-(furan-2-yl)-2-(oxolane-2-carbonyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one is O=C(C1CCCO1)N1N=C(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)CC1c1ccco1.
What is the InChIKey of 6-chloro-3-[3-(furan-2-yl)-2-(oxolane-2-carbonyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one?
The InChIKey is LPSPPBVIEONBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClN3O4/c28-17-10-11-19-18(14-17)24(16-6-2-1-3-7-16)25(26(32)29-19)20-15-21(22-8-4-12-34-22)31(30-20)27(33)23-9-5-13-35-23/h1-4,6-8,10-12,14,21,23H,5,9,13,15H2,(H,29,32).
What are the key properties of 6-chloro-3-[3-(furan-2-yl)-2-(oxolane-2-carbonyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one?
6-chloro-3-[3-(furan-2-yl)-2-(oxolane-2-carbonyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one has a molecular weight of 487.94 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[3-(furan-2-yl)-2-(oxolane-2-carbonyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 2963413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).