6-[2-[4-(4-chlorophenyl)-2-oxo-1,3-dihydropyrrol-3-yl]ethyl]-4-cyclopropyl-1-ethylquinolin-2-one

C26H25ClN2O2 — CID 135200668

IUPAC6-[2-[4-(4-chlorophenyl)-2-oxo-1,3-dihydropyrrol-3-yl]ethyl]-4-cyclopropyl-1-ethylquinolin-2-one
SMILESCCn1c(=O)cc(C2CC2)c2cc(CCC3C(=O)NC=C3c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C26H25ClN2O2/c1-2-29-24-12-4-16(13-22(24)21(14-25(29)30)17-5-6-17)3-11-20-23(15-28-26(20)31)18-7-9-19(27)10-8-18/h4,7-10,12-15,17,20H,2-3,5-6,11H2,1H3,(H,28,31)
InChIKeyUPEWHPNDXMNAJS-UHFFFAOYSA-N
MW432.95 g/mol
LogP5.27
Rot. Bonds6

About 6-[2-[4-(4-chlorophenyl)-2-oxo-1,3-dihydropyrrol-3-yl]ethyl]-4-cyclopropyl-1-ethylquinolin-2-one

6-[2-[4-(4-chlorophenyl)-2-oxo-1,3-dihydropyrrol-3-yl]ethyl]-4-cyclopropyl-1-ethylquinolin-2-one (PubChem CID 135200668) has the molecular formula C26H25ClN2O2 and a molecular weight of 432.95 g/mol. Its IUPAC name is 6-[2-[4-(4-chlorophenyl)-2-oxo-1,3-dihydropyrrol-3-yl]ethyl]-4-cyclopropyl-1-ethylquinolin-2-one.

Molecular Properties

Compound Name6-[2-[4-(4-chlorophenyl)-2-oxo-1,3-dihydropyrrol-3-yl]ethyl]-4-cyclopropyl-1-ethylquinolin-2-one
PubChem CID135200668
Molecular FormulaC26H25ClN2O2
Molecular Weight432.95 g/mol
Exact Mass432.16
IUPAC Name6-[2-[4-(4-chlorophenyl)-2-oxo-1,3-dihydropyrrol-3-yl]ethyl]-4-cyclopropyl-1-ethylquinolin-2-one
SMILESCCn1c(=O)cc(C2CC2)c2cc(CCC3C(=O)NC=C3c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C26H25ClN2O2/c1-2-29-24-12-4-16(13-22(24)21(14-25(29)30)17-5-6-17)3-11-20-23(15-28-26(20)31)18-7-9-19(27)10-8-18/h4,7-10,12-15,17,20H,2-3,5-6,11H2,1H3,(H,28,31)
InChIKeyUPEWHPNDXMNAJS-UHFFFAOYSA-N
XLogP5.27
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.95
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[2-[4-(4-chlorophenyl)-2-oxo-1,3-dihydropyrrol-3-yl]ethyl]-4-cyclopropyl-1-ethylquinolin-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-[2-[4-(4-chlorophenyl)-2-oxo-1,3-dihydropyrrol-3-yl]ethyl]-4-cyclopropyl-1-ethylquinolin-2-one?
The IUPAC name of 6-[2-[4-(4-chlorophenyl)-2-oxo-1,3-dihydropyrrol-3-yl]ethyl]-4-cyclopropyl-1-ethylquinolin-2-one (CID 135200668) is 6-[2-[4-(4-chlorophenyl)-2-oxo-1,3-dihydropyrrol-3-yl]ethyl]-4-cyclopropyl-1-ethylquinolin-2-one.
What is the SMILES notation for 6-[2-[4-(4-chlorophenyl)-2-oxo-1,3-dihydropyrrol-3-yl]ethyl]-4-cyclopropyl-1-ethylquinolin-2-one?
The canonical SMILES for 6-[2-[4-(4-chlorophenyl)-2-oxo-1,3-dihydropyrrol-3-yl]ethyl]-4-cyclopropyl-1-ethylquinolin-2-one is CCn1c(=O)cc(C2CC2)c2cc(CCC3C(=O)NC=C3c3ccc(Cl)cc3)ccc21.
What is the InChIKey of 6-[2-[4-(4-chlorophenyl)-2-oxo-1,3-dihydropyrrol-3-yl]ethyl]-4-cyclopropyl-1-ethylquinolin-2-one?
The InChIKey is UPEWHPNDXMNAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O2/c1-2-29-24-12-4-16(13-22(24)21(14-25(29)30)17-5-6-17)3-11-20-23(15-28-26(20)31)18-7-9-19(27)10-8-18/h4,7-10,12-15,17,20H,2-3,5-6,11H2,1H3,(H,28,31).
What are the key properties of 6-[2-[4-(4-chlorophenyl)-2-oxo-1,3-dihydropyrrol-3-yl]ethyl]-4-cyclopropyl-1-ethylquinolin-2-one?
6-[2-[4-(4-chlorophenyl)-2-oxo-1,3-dihydropyrrol-3-yl]ethyl]-4-cyclopropyl-1-ethylquinolin-2-one has a molecular weight of 432.95 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(4-chlorophenyl)-2-oxo-1,3-dihydropyrrol-3-yl]ethyl]-4-cyclopropyl-1-ethylquinolin-2-one is sourced from PubChem (CID 135200668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).