2-hydroxy-5-(6-methylquinolin-5-yl)benzoic acid

C17H13NO3 — CID 164889296

IUPAC2-hydroxy-5-(6-methylquinolin-5-yl)benzoic acid
SMILESCc1ccc2ncccc2c1-c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C17H13NO3/c1-10-4-6-14-12(3-2-8-18-14)16(10)11-5-7-15(19)13(9-11)17(20)21/h2-9,19H,1H3,(H,20,21)
InChIKeyBPSYEVVQJDPPAQ-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.61
Rot. Bonds2

About 2-hydroxy-5-(6-methylquinolin-5-yl)benzoic acid

2-hydroxy-5-(6-methylquinolin-5-yl)benzoic acid (PubChem CID 164889296) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-hydroxy-5-(6-methylquinolin-5-yl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(6-methylquinolin-5-yl)benzoic acid
PubChem CID164889296
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name2-hydroxy-5-(6-methylquinolin-5-yl)benzoic acid
SMILESCc1ccc2ncccc2c1-c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C17H13NO3/c1-10-4-6-14-12(3-2-8-18-14)16(10)11-5-7-15(19)13(9-11)17(20)21/h2-9,19H,1H3,(H,20,21)
InChIKeyBPSYEVVQJDPPAQ-UHFFFAOYSA-N
XLogP3.61
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(6-methylquinolin-5-yl)benzoic acid?
The IUPAC name of 2-hydroxy-5-(6-methylquinolin-5-yl)benzoic acid (CID 164889296) is 2-hydroxy-5-(6-methylquinolin-5-yl)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(6-methylquinolin-5-yl)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(6-methylquinolin-5-yl)benzoic acid is Cc1ccc2ncccc2c1-c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 2-hydroxy-5-(6-methylquinolin-5-yl)benzoic acid?
The InChIKey is BPSYEVVQJDPPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-10-4-6-14-12(3-2-8-18-14)16(10)11-5-7-15(19)13(9-11)17(20)21/h2-9,19H,1H3,(H,20,21).
What are the key properties of 2-hydroxy-5-(6-methylquinolin-5-yl)benzoic acid?
2-hydroxy-5-(6-methylquinolin-5-yl)benzoic acid has a molecular weight of 279.30 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(6-methylquinolin-5-yl)benzoic acid is sourced from PubChem (CID 164889296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).