3-hydroxy-2-phenyl-1H-quinoline-2-carboxylic acid

C16H13NO3 — CID 67702787

IUPAC3-hydroxy-2-phenyl-1H-quinoline-2-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)Nc2ccccc2C=C1O
InChIInChI=1S/C16H13NO3/c18-14-10-11-6-4-5-9-13(11)17-16(14,15(19)20)12-7-2-1-3-8-12/h1-10,17-18H,(H,19,20)
InChIKeyJTNKXGAXBPCLLA-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.99
Rot. Bonds2

About 3-hydroxy-2-phenyl-1H-quinoline-2-carboxylic acid

3-hydroxy-2-phenyl-1H-quinoline-2-carboxylic acid (PubChem CID 67702787) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-hydroxy-2-phenyl-1H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-2-phenyl-1H-quinoline-2-carboxylic acid
PubChem CID67702787
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name3-hydroxy-2-phenyl-1H-quinoline-2-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)Nc2ccccc2C=C1O
InChIInChI=1S/C16H13NO3/c18-14-10-11-6-4-5-9-13(11)17-16(14,15(19)20)12-7-2-1-3-8-12/h1-10,17-18H,(H,19,20)
InChIKeyJTNKXGAXBPCLLA-UHFFFAOYSA-N
XLogP2.99
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-phenyl-1H-quinoline-2-carboxylic acid?
The IUPAC name of 3-hydroxy-2-phenyl-1H-quinoline-2-carboxylic acid (CID 67702787) is 3-hydroxy-2-phenyl-1H-quinoline-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-2-phenyl-1H-quinoline-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-2-phenyl-1H-quinoline-2-carboxylic acid is O=C(O)C1(c2ccccc2)Nc2ccccc2C=C1O.
What is the InChIKey of 3-hydroxy-2-phenyl-1H-quinoline-2-carboxylic acid?
The InChIKey is JTNKXGAXBPCLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c18-14-10-11-6-4-5-9-13(11)17-16(14,15(19)20)12-7-2-1-3-8-12/h1-10,17-18H,(H,19,20).
What are the key properties of 3-hydroxy-2-phenyl-1H-quinoline-2-carboxylic acid?
3-hydroxy-2-phenyl-1H-quinoline-2-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 2.99, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-phenyl-1H-quinoline-2-carboxylic acid is sourced from PubChem (CID 67702787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).