3-ethyl-7-[(2R)-1-(3-fluoro-5-methylphenyl)propan-2-yl]-1H-quinolin-2-one

C21H22FNO — CID 70291906

IUPAC3-ethyl-7-[(2R)-1-(3-fluoro-5-methylphenyl)propan-2-yl]-1H-quinolin-2-one
SMILESCCc1cc2ccc([C@H](C)Cc3cc(C)cc(F)c3)cc2[nH]c1=O
InChIInChI=1S/C21H22FNO/c1-4-16-11-18-6-5-17(12-20(18)23-21(16)24)14(3)9-15-7-13(2)8-19(22)10-15/h5-8,10-12,14H,4,9H2,1-3H3,(H,23,24)/t14-/m1/s1
InChIKeyCLXAIPWHTZMEAV-CQSZACIVSA-N
MW323.41 g/mol
LogP4.88
Rot. Bonds4

About 3-ethyl-7-[(2R)-1-(3-fluoro-5-methylphenyl)propan-2-yl]-1H-quinolin-2-one

3-ethyl-7-[(2R)-1-(3-fluoro-5-methylphenyl)propan-2-yl]-1H-quinolin-2-one (PubChem CID 70291906) has the molecular formula C21H22FNO and a molecular weight of 323.41 g/mol. Its IUPAC name is 3-ethyl-7-[(2R)-1-(3-fluoro-5-methylphenyl)propan-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-ethyl-7-[(2R)-1-(3-fluoro-5-methylphenyl)propan-2-yl]-1H-quinolin-2-one
PubChem CID70291906
Molecular FormulaC21H22FNO
Molecular Weight323.41 g/mol
Exact Mass323.17
IUPAC Name3-ethyl-7-[(2R)-1-(3-fluoro-5-methylphenyl)propan-2-yl]-1H-quinolin-2-one
SMILESCCc1cc2ccc([C@H](C)Cc3cc(C)cc(F)c3)cc2[nH]c1=O
InChIInChI=1S/C21H22FNO/c1-4-16-11-18-6-5-17(12-20(18)23-21(16)24)14(3)9-15-7-13(2)8-19(22)10-15/h5-8,10-12,14H,4,9H2,1-3H3,(H,23,24)/t14-/m1/s1
InChIKeyCLXAIPWHTZMEAV-CQSZACIVSA-N
XLogP4.88
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-ethyl-7-[(2R)-1-(3-fluoro-5-methylphenyl)propan-2-yl]-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-ethyl-7-[(2R)-1-(3-fluoro-5-methylphenyl)propan-2-yl]-1H-quinolin-2-one?
The IUPAC name of 3-ethyl-7-[(2R)-1-(3-fluoro-5-methylphenyl)propan-2-yl]-1H-quinolin-2-one (CID 70291906) is 3-ethyl-7-[(2R)-1-(3-fluoro-5-methylphenyl)propan-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-ethyl-7-[(2R)-1-(3-fluoro-5-methylphenyl)propan-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-ethyl-7-[(2R)-1-(3-fluoro-5-methylphenyl)propan-2-yl]-1H-quinolin-2-one is CCc1cc2ccc([C@H](C)Cc3cc(C)cc(F)c3)cc2[nH]c1=O.
What is the InChIKey of 3-ethyl-7-[(2R)-1-(3-fluoro-5-methylphenyl)propan-2-yl]-1H-quinolin-2-one?
The InChIKey is CLXAIPWHTZMEAV-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22FNO/c1-4-16-11-18-6-5-17(12-20(18)23-21(16)24)14(3)9-15-7-13(2)8-19(22)10-15/h5-8,10-12,14H,4,9H2,1-3H3,(H,23,24)/t14-/m1/s1.
What are the key properties of 3-ethyl-7-[(2R)-1-(3-fluoro-5-methylphenyl)propan-2-yl]-1H-quinolin-2-one?
3-ethyl-7-[(2R)-1-(3-fluoro-5-methylphenyl)propan-2-yl]-1H-quinolin-2-one has a molecular weight of 323.41 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-[(2R)-1-(3-fluoro-5-methylphenyl)propan-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 70291906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).