cyclopentyl 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

C22H24FNO3 — CID 2847304

IUPACcyclopentyl 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILESCC1=C(C(=O)OC2CCCC2)C(c2cccc(F)c2)C2=C(CCCC2=O)N1
InChIInChI=1S/C22H24FNO3/c1-13-19(22(26)27-16-8-2-3-9-16)20(14-6-4-7-15(23)12-14)21-17(24-13)10-5-11-18(21)25/h4,6-7,12,16,20,24H,2-3,5,8-11H2,1H3
InChIKeyNTUDSTFNSAYLBB-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.28
Rot. Bonds3

About cyclopentyl 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

cyclopentyl 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (PubChem CID 2847304) has the molecular formula C22H24FNO3 and a molecular weight of 369.44 g/mol. Its IUPAC name is cyclopentyl 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namecyclopentyl 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
PubChem CID2847304
Molecular FormulaC22H24FNO3
Molecular Weight369.44 g/mol
Exact Mass369.17
IUPAC Namecyclopentyl 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILESCC1=C(C(=O)OC2CCCC2)C(c2cccc(F)c2)C2=C(CCCC2=O)N1
InChIInChI=1S/C22H24FNO3/c1-13-19(22(26)27-16-8-2-3-9-16)20(14-6-4-7-15(23)12-14)21-17(24-13)10-5-11-18(21)25/h4,6-7,12,16,20,24H,2-3,5,8-11H2,1H3
InChIKeyNTUDSTFNSAYLBB-UHFFFAOYSA-N
XLogP4.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cyclopentyl 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate 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 cyclopentyl 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The IUPAC name of cyclopentyl 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (CID 2847304) is cyclopentyl 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
What is the SMILES notation for cyclopentyl 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The canonical SMILES for cyclopentyl 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is CC1=C(C(=O)OC2CCCC2)C(c2cccc(F)c2)C2=C(CCCC2=O)N1.
What is the InChIKey of cyclopentyl 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The InChIKey is NTUDSTFNSAYLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO3/c1-13-19(22(26)27-16-8-2-3-9-16)20(14-6-4-7-15(23)12-14)21-17(24-13)10-5-11-18(21)25/h4,6-7,12,16,20,24H,2-3,5,8-11H2,1H3.
What are the key properties of cyclopentyl 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
cyclopentyl 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate has a molecular weight of 369.44 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is sourced from PubChem (CID 2847304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).