3-[2-(3,4-dimethylbenzoyl)pyrrolidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one

C23H21FN2O3 — CID 110607665

IUPAC3-[2-(3,4-dimethylbenzoyl)pyrrolidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one
SMILESCc1ccc(C(=O)C2CCCN2C(=O)c2cc3ccc(F)cc3[nH]c2=O)cc1C
InChIInChI=1S/C23H21FN2O3/c1-13-5-6-16(10-14(13)2)21(27)20-4-3-9-26(20)23(29)18-11-15-7-8-17(24)12-19(15)25-22(18)28/h5-8,10-12,20H,3-4,9H2,1-2H3,(H,25,28)
InChIKeyWGLJZWZSMBMCAC-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.77
Rot. Bonds3

About 3-[2-(3,4-dimethylbenzoyl)pyrrolidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one

3-[2-(3,4-dimethylbenzoyl)pyrrolidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one (PubChem CID 110607665) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is 3-[2-(3,4-dimethylbenzoyl)pyrrolidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-(3,4-dimethylbenzoyl)pyrrolidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one
PubChem CID110607665
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name3-[2-(3,4-dimethylbenzoyl)pyrrolidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one
SMILESCc1ccc(C(=O)C2CCCN2C(=O)c2cc3ccc(F)cc3[nH]c2=O)cc1C
InChIInChI=1S/C23H21FN2O3/c1-13-5-6-16(10-14(13)2)21(27)20-4-3-9-26(20)23(29)18-11-15-7-8-17(24)12-19(15)25-22(18)28/h5-8,10-12,20H,3-4,9H2,1-2H3,(H,25,28)
InChIKeyWGLJZWZSMBMCAC-UHFFFAOYSA-N
XLogP3.77
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(3,4-dimethylbenzoyl)pyrrolidine-1-carbonyl]-7-fluoro-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 3-[2-(3,4-dimethylbenzoyl)pyrrolidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one?
The IUPAC name of 3-[2-(3,4-dimethylbenzoyl)pyrrolidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one (CID 110607665) is 3-[2-(3,4-dimethylbenzoyl)pyrrolidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-(3,4-dimethylbenzoyl)pyrrolidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one?
The canonical SMILES for 3-[2-(3,4-dimethylbenzoyl)pyrrolidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one is Cc1ccc(C(=O)C2CCCN2C(=O)c2cc3ccc(F)cc3[nH]c2=O)cc1C.
What is the InChIKey of 3-[2-(3,4-dimethylbenzoyl)pyrrolidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one?
The InChIKey is WGLJZWZSMBMCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c1-13-5-6-16(10-14(13)2)21(27)20-4-3-9-26(20)23(29)18-11-15-7-8-17(24)12-19(15)25-22(18)28/h5-8,10-12,20H,3-4,9H2,1-2H3,(H,25,28).
What are the key properties of 3-[2-(3,4-dimethylbenzoyl)pyrrolidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one?
3-[2-(3,4-dimethylbenzoyl)pyrrolidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one has a molecular weight of 392.43 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethylbenzoyl)pyrrolidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one is sourced from PubChem (CID 110607665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).