5,7-dihydroxy-8-methoxy-2-phenyl-1H-quinolin-4-one

C16H13NO4 — CID 141354542

IUPAC5,7-dihydroxy-8-methoxy-2-phenyl-1H-quinolin-4-one
SMILESCOc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)[nH]c12
InChIInChI=1S/C16H13NO4/c1-21-16-13(20)8-12(19)14-11(18)7-10(17-15(14)16)9-5-3-2-4-6-9/h2-8,19-20H,1H3,(H,17,18)
InChIKeyXIYOXUMSHLAMGP-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.61
Rot. Bonds2

About 5,7-dihydroxy-8-methoxy-2-phenyl-1H-quinolin-4-one

5,7-dihydroxy-8-methoxy-2-phenyl-1H-quinolin-4-one (PubChem CID 141354542) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 5,7-dihydroxy-8-methoxy-2-phenyl-1H-quinolin-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-8-methoxy-2-phenyl-1H-quinolin-4-one
PubChem CID141354542
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name5,7-dihydroxy-8-methoxy-2-phenyl-1H-quinolin-4-one
SMILESCOc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)[nH]c12
InChIInChI=1S/C16H13NO4/c1-21-16-13(20)8-12(19)14-11(18)7-10(17-15(14)16)9-5-3-2-4-6-9/h2-8,19-20H,1H3,(H,17,18)
InChIKeyXIYOXUMSHLAMGP-UHFFFAOYSA-N
XLogP2.61
TPSA82.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-8-methoxy-2-phenyl-1H-quinolin-4-one?
The IUPAC name of 5,7-dihydroxy-8-methoxy-2-phenyl-1H-quinolin-4-one (CID 141354542) is 5,7-dihydroxy-8-methoxy-2-phenyl-1H-quinolin-4-one.
What is the SMILES notation for 5,7-dihydroxy-8-methoxy-2-phenyl-1H-quinolin-4-one?
The canonical SMILES for 5,7-dihydroxy-8-methoxy-2-phenyl-1H-quinolin-4-one is COc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)[nH]c12.
What is the InChIKey of 5,7-dihydroxy-8-methoxy-2-phenyl-1H-quinolin-4-one?
The InChIKey is XIYOXUMSHLAMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-21-16-13(20)8-12(19)14-11(18)7-10(17-15(14)16)9-5-3-2-4-6-9/h2-8,19-20H,1H3,(H,17,18).
What are the key properties of 5,7-dihydroxy-8-methoxy-2-phenyl-1H-quinolin-4-one?
5,7-dihydroxy-8-methoxy-2-phenyl-1H-quinolin-4-one has a molecular weight of 283.28 g/mol, XLogP of 2.61, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-8-methoxy-2-phenyl-1H-quinolin-4-one is sourced from PubChem (CID 141354542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).