6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(2-fluorophenyl)methylamino]-1H-quinolin-2-one

C21H18FN3O2 — CID 121342342

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(2-fluorophenyl)methylamino]-1H-quinolin-2-one
SMILESCc1noc(C)c1-c1ccc2[nH]c(=O)cc(NCc3ccccc3F)c2c1
InChIInChI=1S/C21H18FN3O2/c1-12-21(13(2)27-25-12)14-7-8-18-16(9-14)19(10-20(26)24-18)23-11-15-5-3-4-6-17(15)22/h3-10H,11H2,1-2H3,(H2,23,24,26)
InChIKeyYCFDKVZYCYUMJG-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.55
Rot. Bonds4

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(2-fluorophenyl)methylamino]-1H-quinolin-2-one

6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(2-fluorophenyl)methylamino]-1H-quinolin-2-one (PubChem CID 121342342) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(2-fluorophenyl)methylamino]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(2-fluorophenyl)methylamino]-1H-quinolin-2-one
PubChem CID121342342
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(2-fluorophenyl)methylamino]-1H-quinolin-2-one
SMILESCc1noc(C)c1-c1ccc2[nH]c(=O)cc(NCc3ccccc3F)c2c1
InChIInChI=1S/C21H18FN3O2/c1-12-21(13(2)27-25-12)14-7-8-18-16(9-14)19(10-20(26)24-18)23-11-15-5-3-4-6-17(15)22/h3-10H,11H2,1-2H3,(H2,23,24,26)
InChIKeyYCFDKVZYCYUMJG-UHFFFAOYSA-N
XLogP4.55
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(2-fluorophenyl)methylamino]-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 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(2-fluorophenyl)methylamino]-1H-quinolin-2-one?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(2-fluorophenyl)methylamino]-1H-quinolin-2-one (CID 121342342) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(2-fluorophenyl)methylamino]-1H-quinolin-2-one.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(2-fluorophenyl)methylamino]-1H-quinolin-2-one?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(2-fluorophenyl)methylamino]-1H-quinolin-2-one is Cc1noc(C)c1-c1ccc2[nH]c(=O)cc(NCc3ccccc3F)c2c1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(2-fluorophenyl)methylamino]-1H-quinolin-2-one?
The InChIKey is YCFDKVZYCYUMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-12-21(13(2)27-25-12)14-7-8-18-16(9-14)19(10-20(26)24-18)23-11-15-5-3-4-6-17(15)22/h3-10H,11H2,1-2H3,(H2,23,24,26).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(2-fluorophenyl)methylamino]-1H-quinolin-2-one?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(2-fluorophenyl)methylamino]-1H-quinolin-2-one has a molecular weight of 363.39 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(2-fluorophenyl)methylamino]-1H-quinolin-2-one is sourced from PubChem (CID 121342342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).