1-[hydroxy(phenyl)methyl]-4-oxoquinolizine-3-carboxylic acid

C17H13NO4 — CID 45279719

IUPAC1-[hydroxy(phenyl)methyl]-4-oxoquinolizine-3-carboxylic acid
SMILESO=C(O)c1cc(C(O)c2ccccc2)c2ccccn2c1=O
InChIInChI=1S/C17H13NO4/c19-15(11-6-2-1-3-7-11)12-10-13(17(21)22)16(20)18-9-5-4-8-14(12)18/h1-10,15,19H,(H,21,22)
InChIKeyRVYCBPVFMSQCCA-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.08
Rot. Bonds3

About 1-[hydroxy(phenyl)methyl]-4-oxoquinolizine-3-carboxylic acid

1-[hydroxy(phenyl)methyl]-4-oxoquinolizine-3-carboxylic acid (PubChem CID 45279719) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is 1-[hydroxy(phenyl)methyl]-4-oxoquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name1-[hydroxy(phenyl)methyl]-4-oxoquinolizine-3-carboxylic acid
PubChem CID45279719
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name1-[hydroxy(phenyl)methyl]-4-oxoquinolizine-3-carboxylic acid
SMILESO=C(O)c1cc(C(O)c2ccccc2)c2ccccn2c1=O
InChIInChI=1S/C17H13NO4/c19-15(11-6-2-1-3-7-11)12-10-13(17(21)22)16(20)18-9-5-4-8-14(12)18/h1-10,15,19H,(H,21,22)
InChIKeyRVYCBPVFMSQCCA-UHFFFAOYSA-N
XLogP2.08
TPSA79.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy(phenyl)methyl]-4-oxoquinolizine-3-carboxylic acid?
The IUPAC name of 1-[hydroxy(phenyl)methyl]-4-oxoquinolizine-3-carboxylic acid (CID 45279719) is 1-[hydroxy(phenyl)methyl]-4-oxoquinolizine-3-carboxylic acid.
What is the SMILES notation for 1-[hydroxy(phenyl)methyl]-4-oxoquinolizine-3-carboxylic acid?
The canonical SMILES for 1-[hydroxy(phenyl)methyl]-4-oxoquinolizine-3-carboxylic acid is O=C(O)c1cc(C(O)c2ccccc2)c2ccccn2c1=O.
What is the InChIKey of 1-[hydroxy(phenyl)methyl]-4-oxoquinolizine-3-carboxylic acid?
The InChIKey is RVYCBPVFMSQCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c19-15(11-6-2-1-3-7-11)12-10-13(17(21)22)16(20)18-9-5-4-8-14(12)18/h1-10,15,19H,(H,21,22).
What are the key properties of 1-[hydroxy(phenyl)methyl]-4-oxoquinolizine-3-carboxylic acid?
1-[hydroxy(phenyl)methyl]-4-oxoquinolizine-3-carboxylic acid has a molecular weight of 295.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy(phenyl)methyl]-4-oxoquinolizine-3-carboxylic acid is sourced from PubChem (CID 45279719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).