6-chloro-3-[4-(furan-2-carbonyl)piperazin-1-yl]-4-phenyl-1H-quinolin-2-one

C24H20ClN3O3 — CID 2941783

IUPAC6-chloro-3-[4-(furan-2-carbonyl)piperazin-1-yl]-4-phenyl-1H-quinolin-2-one
SMILESO=C(c1ccco1)N1CCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)CC1
InChIInChI=1S/C24H20ClN3O3/c25-17-8-9-19-18(15-17)21(16-5-2-1-3-6-16)22(23(29)26-19)27-10-12-28(13-11-27)24(30)20-7-4-14-31-20/h1-9,14-15H,10-13H2,(H,26,29)
InChIKeyNJEYJUSQLNNSFM-UHFFFAOYSA-N
MW433.90 g/mol
LogP4.40
Rot. Bonds3

About 6-chloro-3-[4-(furan-2-carbonyl)piperazin-1-yl]-4-phenyl-1H-quinolin-2-one

6-chloro-3-[4-(furan-2-carbonyl)piperazin-1-yl]-4-phenyl-1H-quinolin-2-one (PubChem CID 2941783) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is 6-chloro-3-[4-(furan-2-carbonyl)piperazin-1-yl]-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[4-(furan-2-carbonyl)piperazin-1-yl]-4-phenyl-1H-quinolin-2-one
PubChem CID2941783
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC Name6-chloro-3-[4-(furan-2-carbonyl)piperazin-1-yl]-4-phenyl-1H-quinolin-2-one
SMILESO=C(c1ccco1)N1CCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)CC1
InChIInChI=1S/C24H20ClN3O3/c25-17-8-9-19-18(15-17)21(16-5-2-1-3-6-16)22(23(29)26-19)27-10-12-28(13-11-27)24(30)20-7-4-14-31-20/h1-9,14-15H,10-13H2,(H,26,29)
InChIKeyNJEYJUSQLNNSFM-UHFFFAOYSA-N
XLogP4.40
TPSA69.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-[4-(furan-2-carbonyl)piperazin-1-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-[4-(furan-2-carbonyl)piperazin-1-yl]-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[4-(furan-2-carbonyl)piperazin-1-yl]-4-phenyl-1H-quinolin-2-one (CID 2941783) is 6-chloro-3-[4-(furan-2-carbonyl)piperazin-1-yl]-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[4-(furan-2-carbonyl)piperazin-1-yl]-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[4-(furan-2-carbonyl)piperazin-1-yl]-4-phenyl-1H-quinolin-2-one is O=C(c1ccco1)N1CCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)CC1.
What is the InChIKey of 6-chloro-3-[4-(furan-2-carbonyl)piperazin-1-yl]-4-phenyl-1H-quinolin-2-one?
The InChIKey is NJEYJUSQLNNSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c25-17-8-9-19-18(15-17)21(16-5-2-1-3-6-16)22(23(29)26-19)27-10-12-28(13-11-27)24(30)20-7-4-14-31-20/h1-9,14-15H,10-13H2,(H,26,29).
What are the key properties of 6-chloro-3-[4-(furan-2-carbonyl)piperazin-1-yl]-4-phenyl-1H-quinolin-2-one?
6-chloro-3-[4-(furan-2-carbonyl)piperazin-1-yl]-4-phenyl-1H-quinolin-2-one has a molecular weight of 433.90 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[4-(furan-2-carbonyl)piperazin-1-yl]-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 2941783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).