4-hydroxy-8-methoxy-3-phenyl-1H-quinolin-2-one

C16H13NO3 — CID 54683181

IUPAC4-hydroxy-8-methoxy-3-phenyl-1H-quinolin-2-one
SMILESCOc1cccc2c(O)c(-c3ccccc3)c(=O)[nH]c12
InChIInChI=1S/C16H13NO3/c1-20-12-9-5-8-11-14(12)17-16(19)13(15(11)18)10-6-3-2-4-7-10/h2-9H,1H3,(H2,17,18,19)
InChIKeySPRCUPYOSOLXHB-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.91
Rot. Bonds2

About 4-hydroxy-8-methoxy-3-phenyl-1H-quinolin-2-one

4-hydroxy-8-methoxy-3-phenyl-1H-quinolin-2-one (PubChem CID 54683181) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-hydroxy-8-methoxy-3-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-8-methoxy-3-phenyl-1H-quinolin-2-one
PubChem CID54683181
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name4-hydroxy-8-methoxy-3-phenyl-1H-quinolin-2-one
SMILESCOc1cccc2c(O)c(-c3ccccc3)c(=O)[nH]c12
InChIInChI=1S/C16H13NO3/c1-20-12-9-5-8-11-14(12)17-16(19)13(15(11)18)10-6-3-2-4-7-10/h2-9H,1H3,(H2,17,18,19)
InChIKeySPRCUPYOSOLXHB-UHFFFAOYSA-N
XLogP2.91
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-8-methoxy-3-phenyl-1H-quinolin-2-one?
The IUPAC name of 4-hydroxy-8-methoxy-3-phenyl-1H-quinolin-2-one (CID 54683181) is 4-hydroxy-8-methoxy-3-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 4-hydroxy-8-methoxy-3-phenyl-1H-quinolin-2-one?
The canonical SMILES for 4-hydroxy-8-methoxy-3-phenyl-1H-quinolin-2-one is COc1cccc2c(O)c(-c3ccccc3)c(=O)[nH]c12.
What is the InChIKey of 4-hydroxy-8-methoxy-3-phenyl-1H-quinolin-2-one?
The InChIKey is SPRCUPYOSOLXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-20-12-9-5-8-11-14(12)17-16(19)13(15(11)18)10-6-3-2-4-7-10/h2-9H,1H3,(H2,17,18,19).
What are the key properties of 4-hydroxy-8-methoxy-3-phenyl-1H-quinolin-2-one?
4-hydroxy-8-methoxy-3-phenyl-1H-quinolin-2-one has a molecular weight of 267.28 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-8-methoxy-3-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 54683181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).