ethane;4-(4-fluorophenyl)-6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one

C22H21FN2O2 — CID 142993502

IUPACethane;4-(4-fluorophenyl)-6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one
SMILESCC.Cc1ccc2[nH]c(=O)c(-c3cc(C)no3)c(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C20H15FN2O2.C2H6/c1-11-3-8-16-15(9-11)18(13-4-6-14(21)7-5-13)19(20(24)22-16)17-10-12(2)23-25-17;1-2/h3-10H,1-2H3,(H,22,24);1-2H3
InChIKeyCZJKVZWKIHAWCV-UHFFFAOYSA-N
MW364.42 g/mol
LogP5.63
Rot. Bonds2

About ethane;4-(4-fluorophenyl)-6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one

ethane;4-(4-fluorophenyl)-6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one (PubChem CID 142993502) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is ethane;4-(4-fluorophenyl)-6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Nameethane;4-(4-fluorophenyl)-6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one
PubChem CID142993502
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC Nameethane;4-(4-fluorophenyl)-6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one
SMILESCC.Cc1ccc2[nH]c(=O)c(-c3cc(C)no3)c(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C20H15FN2O2.C2H6/c1-11-3-8-16-15(9-11)18(13-4-6-14(21)7-5-13)19(20(24)22-16)17-10-12(2)23-25-17;1-2/h3-10H,1-2H3,(H,22,24);1-2H3
InChIKeyCZJKVZWKIHAWCV-UHFFFAOYSA-N
XLogP5.63
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.42
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;4-(4-fluorophenyl)-6-methyl-3-(3-methyl-1,2-oxazol-5-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 ethane;4-(4-fluorophenyl)-6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one?
The IUPAC name of ethane;4-(4-fluorophenyl)-6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one (CID 142993502) is ethane;4-(4-fluorophenyl)-6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one.
What is the SMILES notation for ethane;4-(4-fluorophenyl)-6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one?
The canonical SMILES for ethane;4-(4-fluorophenyl)-6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one is CC.Cc1ccc2[nH]c(=O)c(-c3cc(C)no3)c(-c3ccc(F)cc3)c2c1.
What is the InChIKey of ethane;4-(4-fluorophenyl)-6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one?
The InChIKey is CZJKVZWKIHAWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2.C2H6/c1-11-3-8-16-15(9-11)18(13-4-6-14(21)7-5-13)19(20(24)22-16)17-10-12(2)23-25-17;1-2/h3-10H,1-2H3,(H,22,24);1-2H3.
What are the key properties of ethane;4-(4-fluorophenyl)-6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one?
ethane;4-(4-fluorophenyl)-6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one has a molecular weight of 364.42 g/mol, XLogP of 5.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(4-fluorophenyl)-6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one is sourced from PubChem (CID 142993502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).