7-methoxy-3-phenyl-1H-quinolin-4-one

C16H13NO2 — CID 18771325

IUPAC7-methoxy-3-phenyl-1H-quinolin-4-one
SMILESCOc1ccc2c(=O)c(-c3ccccc3)c[nH]c2c1
InChIInChI=1S/C16H13NO2/c1-19-12-7-8-13-15(9-12)17-10-14(16(13)18)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
InChIKeyNYISTGNRDVIJLA-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.20
Rot. Bonds2

About 7-methoxy-3-phenyl-1H-quinolin-4-one

7-methoxy-3-phenyl-1H-quinolin-4-one (PubChem CID 18771325) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 7-methoxy-3-phenyl-1H-quinolin-4-one.

Molecular Properties

Compound Name7-methoxy-3-phenyl-1H-quinolin-4-one
PubChem CID18771325
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name7-methoxy-3-phenyl-1H-quinolin-4-one
SMILESCOc1ccc2c(=O)c(-c3ccccc3)c[nH]c2c1
InChIInChI=1S/C16H13NO2/c1-19-12-7-8-13-15(9-12)17-10-14(16(13)18)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
InChIKeyNYISTGNRDVIJLA-UHFFFAOYSA-N
XLogP3.20
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-methoxy-3-phenyl-1H-quinolin-4-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 7-methoxy-3-phenyl-1H-quinolin-4-one?
The IUPAC name of 7-methoxy-3-phenyl-1H-quinolin-4-one (CID 18771325) is 7-methoxy-3-phenyl-1H-quinolin-4-one.
What is the SMILES notation for 7-methoxy-3-phenyl-1H-quinolin-4-one?
The canonical SMILES for 7-methoxy-3-phenyl-1H-quinolin-4-one is COc1ccc2c(=O)c(-c3ccccc3)c[nH]c2c1.
What is the InChIKey of 7-methoxy-3-phenyl-1H-quinolin-4-one?
The InChIKey is NYISTGNRDVIJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-19-12-7-8-13-15(9-12)17-10-14(16(13)18)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18).
What are the key properties of 7-methoxy-3-phenyl-1H-quinolin-4-one?
7-methoxy-3-phenyl-1H-quinolin-4-one has a molecular weight of 251.29 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-phenyl-1H-quinolin-4-one is sourced from PubChem (CID 18771325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).