4-methyl-3-quinolin-7-ylbenzoic acid

C17H13NO2 — CID 81475808

IUPAC4-methyl-3-quinolin-7-ylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1-c1ccc2cccnc2c1
InChIInChI=1S/C17H13NO2/c1-11-4-5-14(17(19)20)9-15(11)13-7-6-12-3-2-8-18-16(12)10-13/h2-10H,1H3,(H,19,20)
InChIKeyWWJNTNTXBGPEAB-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.91
Rot. Bonds2

About 4-methyl-3-quinolin-7-ylbenzoic acid

4-methyl-3-quinolin-7-ylbenzoic acid (PubChem CID 81475808) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-methyl-3-quinolin-7-ylbenzoic acid.

Molecular Properties

Compound Name4-methyl-3-quinolin-7-ylbenzoic acid
PubChem CID81475808
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name4-methyl-3-quinolin-7-ylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1-c1ccc2cccnc2c1
InChIInChI=1S/C17H13NO2/c1-11-4-5-14(17(19)20)9-15(11)13-7-6-12-3-2-8-18-16(12)10-13/h2-10H,1H3,(H,19,20)
InChIKeyWWJNTNTXBGPEAB-UHFFFAOYSA-N
XLogP3.91
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-quinolin-7-ylbenzoic acid?
The IUPAC name of 4-methyl-3-quinolin-7-ylbenzoic acid (CID 81475808) is 4-methyl-3-quinolin-7-ylbenzoic acid.
What is the SMILES notation for 4-methyl-3-quinolin-7-ylbenzoic acid?
The canonical SMILES for 4-methyl-3-quinolin-7-ylbenzoic acid is Cc1ccc(C(=O)O)cc1-c1ccc2cccnc2c1.
What is the InChIKey of 4-methyl-3-quinolin-7-ylbenzoic acid?
The InChIKey is WWJNTNTXBGPEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c1-11-4-5-14(17(19)20)9-15(11)13-7-6-12-3-2-8-18-16(12)10-13/h2-10H,1H3,(H,19,20).
What are the key properties of 4-methyl-3-quinolin-7-ylbenzoic acid?
4-methyl-3-quinolin-7-ylbenzoic acid has a molecular weight of 263.30 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-quinolin-7-ylbenzoic acid is sourced from PubChem (CID 81475808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).