1-[[3-[4-(dimethylamino)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylquinolin-2-one

C22H23N3O2 — CID 4889687

IUPAC1-[[3-[4-(dimethylamino)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylquinolin-2-one
SMILESCc1cc(=O)n(CC2CC(c3ccc(N(C)C)cc3)=NO2)c2ccccc12
InChIInChI=1S/C22H23N3O2/c1-15-12-22(26)25(21-7-5-4-6-19(15)21)14-18-13-20(23-27-18)16-8-10-17(11-9-16)24(2)3/h4-12,18H,13-14H2,1-3H3
InChIKeyFAZYZOFOMMIOPK-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.57
Rot. Bonds4

About 1-[[3-[4-(dimethylamino)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylquinolin-2-one

1-[[3-[4-(dimethylamino)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylquinolin-2-one (PubChem CID 4889687) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-[[3-[4-(dimethylamino)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylquinolin-2-one.

Molecular Properties

Compound Name1-[[3-[4-(dimethylamino)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylquinolin-2-one
PubChem CID4889687
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name1-[[3-[4-(dimethylamino)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylquinolin-2-one
SMILESCc1cc(=O)n(CC2CC(c3ccc(N(C)C)cc3)=NO2)c2ccccc12
InChIInChI=1S/C22H23N3O2/c1-15-12-22(26)25(21-7-5-4-6-19(15)21)14-18-13-20(23-27-18)16-8-10-17(11-9-16)24(2)3/h4-12,18H,13-14H2,1-3H3
InChIKeyFAZYZOFOMMIOPK-UHFFFAOYSA-N
XLogP3.57
TPSA46.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[3-[4-(dimethylamino)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylquinolin-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 1-[[3-[4-(dimethylamino)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylquinolin-2-one?
The IUPAC name of 1-[[3-[4-(dimethylamino)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylquinolin-2-one (CID 4889687) is 1-[[3-[4-(dimethylamino)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylquinolin-2-one.
What is the SMILES notation for 1-[[3-[4-(dimethylamino)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylquinolin-2-one?
The canonical SMILES for 1-[[3-[4-(dimethylamino)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylquinolin-2-one is Cc1cc(=O)n(CC2CC(c3ccc(N(C)C)cc3)=NO2)c2ccccc12.
What is the InChIKey of 1-[[3-[4-(dimethylamino)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylquinolin-2-one?
The InChIKey is FAZYZOFOMMIOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-12-22(26)25(21-7-5-4-6-19(15)21)14-18-13-20(23-27-18)16-8-10-17(11-9-16)24(2)3/h4-12,18H,13-14H2,1-3H3.
What are the key properties of 1-[[3-[4-(dimethylamino)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylquinolin-2-one?
1-[[3-[4-(dimethylamino)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylquinolin-2-one has a molecular weight of 361.45 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[4-(dimethylamino)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methylquinolin-2-one is sourced from PubChem (CID 4889687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).