4-methyl-2-quinolin-7-yloxybenzoic acid

C17H13NO3 — CID 107313379

IUPAC4-methyl-2-quinolin-7-yloxybenzoic acid
SMILESCc1ccc(C(=O)O)c(Oc2ccc3cccnc3c2)c1
InChIInChI=1S/C17H13NO3/c1-11-4-7-14(17(19)20)16(9-11)21-13-6-5-12-3-2-8-18-15(12)10-13/h2-10H,1H3,(H,19,20)
InChIKeyDDTIACSKVCHNGA-UHFFFAOYSA-N
MW279.30 g/mol
LogP4.03
Rot. Bonds3

About 4-methyl-2-quinolin-7-yloxybenzoic acid

4-methyl-2-quinolin-7-yloxybenzoic acid (PubChem CID 107313379) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-methyl-2-quinolin-7-yloxybenzoic acid.

Molecular Properties

Compound Name4-methyl-2-quinolin-7-yloxybenzoic acid
PubChem CID107313379
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name4-methyl-2-quinolin-7-yloxybenzoic acid
SMILESCc1ccc(C(=O)O)c(Oc2ccc3cccnc3c2)c1
InChIInChI=1S/C17H13NO3/c1-11-4-7-14(17(19)20)16(9-11)21-13-6-5-12-3-2-8-18-15(12)10-13/h2-10H,1H3,(H,19,20)
InChIKeyDDTIACSKVCHNGA-UHFFFAOYSA-N
XLogP4.03
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-quinolin-7-yloxybenzoic acid
CID 107315358
5-amino-2-quinolin-7-yloxybenzoic acid
CID 107314381
4-methyl-2-pyrimidin-2-yloxybenzoic acid
CID 61395843
2-(4-methoxyphenoxy)-4-methylbenzoic acid
CID 55107428
3-chloro-4-quinolin-7-yloxybenzoic acid
CID 107314076
2-(3-chlorophenoxy)-4-methylbenzoic acid
CID 55107381
2-(3-ethoxyphenoxy)-4-methylbenzoic acid
CID 62702429
1-(4-quinolin-7-yloxyphenyl)ethanone
CID 107313857
1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carboxylic acid
CID 107314073
4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzoic acid
CID 63513502
2-(3-ethylphenoxy)-4-methylbenzoic acid
CID 63513493
3-methyl-2-quinolin-7-yloxybutanoic acid
CID 107313050

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-quinolin-7-yloxybenzoic acid?
The IUPAC name of 4-methyl-2-quinolin-7-yloxybenzoic acid (CID 107313379) is 4-methyl-2-quinolin-7-yloxybenzoic acid.
What is the SMILES notation for 4-methyl-2-quinolin-7-yloxybenzoic acid?
The canonical SMILES for 4-methyl-2-quinolin-7-yloxybenzoic acid is Cc1ccc(C(=O)O)c(Oc2ccc3cccnc3c2)c1.
What is the InChIKey of 4-methyl-2-quinolin-7-yloxybenzoic acid?
The InChIKey is DDTIACSKVCHNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-11-4-7-14(17(19)20)16(9-11)21-13-6-5-12-3-2-8-18-15(12)10-13/h2-10H,1H3,(H,19,20).
What are the key properties of 4-methyl-2-quinolin-7-yloxybenzoic acid?
4-methyl-2-quinolin-7-yloxybenzoic acid has a molecular weight of 279.30 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-quinolin-7-yloxybenzoic acid is sourced from PubChem (CID 107313379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).