6,7-dimethoxy-4-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one

C16H16N2O3 — CID 2996925

IUPAC6,7-dimethoxy-4-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)C(c1cccnc1)CC(=O)N2
InChIInChI=1S/C16H16N2O3/c1-20-14-6-12-11(10-4-3-5-17-9-10)7-16(19)18-13(12)8-15(14)21-2/h3-6,8-9,11H,7H2,1-2H3,(H,18,19)
InChIKeyKHTZKOQLBYYLRC-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.57
Rot. Bonds3

About 6,7-dimethoxy-4-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one

6,7-dimethoxy-4-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 2996925) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 6,7-dimethoxy-4-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6,7-dimethoxy-4-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one
PubChem CID2996925
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name6,7-dimethoxy-4-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)C(c1cccnc1)CC(=O)N2
InChIInChI=1S/C16H16N2O3/c1-20-14-6-12-11(10-4-3-5-17-9-10)7-16(19)18-13(12)8-15(14)21-2/h3-6,8-9,11H,7H2,1-2H3,(H,18,19)
InChIKeyKHTZKOQLBYYLRC-UHFFFAOYSA-N
XLogP2.57
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6,7-dimethoxy-4-pyridin-3-yl-3,4-dihydro-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 6,7-dimethoxy-4-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6,7-dimethoxy-4-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one (CID 2996925) is 6,7-dimethoxy-4-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6,7-dimethoxy-4-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6,7-dimethoxy-4-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(cc1OC)C(c1cccnc1)CC(=O)N2.
What is the InChIKey of 6,7-dimethoxy-4-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KHTZKOQLBYYLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-20-14-6-12-11(10-4-3-5-17-9-10)7-16(19)18-13(12)8-15(14)21-2/h3-6,8-9,11H,7H2,1-2H3,(H,18,19).
What are the key properties of 6,7-dimethoxy-4-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one?
6,7-dimethoxy-4-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 284.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 2996925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).