7,8-dimethoxy-2-phenyl-1H-quinolin-4-one

C17H15NO3 — CID 11300504

IUPAC7,8-dimethoxy-2-phenyl-1H-quinolin-4-one
SMILESCOc1ccc2c(=O)cc(-c3ccccc3)[nH]c2c1OC
InChIInChI=1S/C17H15NO3/c1-20-15-9-8-12-14(19)10-13(11-6-4-3-5-7-11)18-16(12)17(15)21-2/h3-10H,1-2H3,(H,18,19)
InChIKeyFCXNUDGSCPEJRY-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.21
Rot. Bonds3

About 7,8-dimethoxy-2-phenyl-1H-quinolin-4-one

7,8-dimethoxy-2-phenyl-1H-quinolin-4-one (PubChem CID 11300504) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 7,8-dimethoxy-2-phenyl-1H-quinolin-4-one.

Molecular Properties

Compound Name7,8-dimethoxy-2-phenyl-1H-quinolin-4-one
PubChem CID11300504
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name7,8-dimethoxy-2-phenyl-1H-quinolin-4-one
SMILESCOc1ccc2c(=O)cc(-c3ccccc3)[nH]c2c1OC
InChIInChI=1S/C17H15NO3/c1-20-15-9-8-12-14(19)10-13(11-6-4-3-5-7-11)18-16(12)17(15)21-2/h3-10H,1-2H3,(H,18,19)
InChIKeyFCXNUDGSCPEJRY-UHFFFAOYSA-N
XLogP3.21
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-2-phenyl-1H-quinolin-4-one?
The IUPAC name of 7,8-dimethoxy-2-phenyl-1H-quinolin-4-one (CID 11300504) is 7,8-dimethoxy-2-phenyl-1H-quinolin-4-one.
What is the SMILES notation for 7,8-dimethoxy-2-phenyl-1H-quinolin-4-one?
The canonical SMILES for 7,8-dimethoxy-2-phenyl-1H-quinolin-4-one is COc1ccc2c(=O)cc(-c3ccccc3)[nH]c2c1OC.
What is the InChIKey of 7,8-dimethoxy-2-phenyl-1H-quinolin-4-one?
The InChIKey is FCXNUDGSCPEJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-20-15-9-8-12-14(19)10-13(11-6-4-3-5-7-11)18-16(12)17(15)21-2/h3-10H,1-2H3,(H,18,19).
What are the key properties of 7,8-dimethoxy-2-phenyl-1H-quinolin-4-one?
7,8-dimethoxy-2-phenyl-1H-quinolin-4-one has a molecular weight of 281.31 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-2-phenyl-1H-quinolin-4-one is sourced from PubChem (CID 11300504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).