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

C17H17NO3 — CID 6624972

IUPAC6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)CC(=O)N2
InChIInChI=1S/C17H17NO3/c1-20-15-8-13-12(11-6-4-3-5-7-11)9-17(19)18-14(13)10-16(15)21-2/h3-8,10,12H,9H2,1-2H3,(H,18,19)
InChIKeyABWHHPWTNUQOMH-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.18
Rot. Bonds3

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

6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 6624972) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID6624972
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)CC(=O)N2
InChIInChI=1S/C17H17NO3/c1-20-15-8-13-12(11-6-4-3-5-7-11)9-17(19)18-14(13)10-16(15)21-2/h3-8,10,12H,9H2,1-2H3,(H,18,19)
InChIKeyABWHHPWTNUQOMH-UHFFFAOYSA-N
XLogP3.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one (CID 6624972) is 6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(cc1OC)C(c1ccccc1)CC(=O)N2.
What is the InChIKey of 6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ABWHHPWTNUQOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-20-15-8-13-12(11-6-4-3-5-7-11)9-17(19)18-14(13)10-16(15)21-2/h3-8,10,12H,9H2,1-2H3,(H,18,19).
What are the key properties of 6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one?
6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 283.33 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 6624972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).