3-methoxybenzoic acid;quinoline

C17H15NO3 — CID 67785482

IUPAC3-methoxybenzoic acid;quinoline
SMILESCOc1cccc(C(=O)O)c1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C8H8O3/c1-2-6-9-8(4-1)5-3-7-10-9;1-11-7-4-2-3-6(5-7)8(9)10/h1-7H;2-5H,1H3,(H,9,10)
InChIKeyFARALHGBLCNDCR-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.63
Rot. Bonds2

About 3-methoxybenzoic acid;quinoline

3-methoxybenzoic acid;quinoline (PubChem CID 67785482) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-methoxybenzoic acid;quinoline.

Molecular Properties

Compound Name3-methoxybenzoic acid;quinoline
PubChem CID67785482
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name3-methoxybenzoic acid;quinoline
SMILESCOc1cccc(C(=O)O)c1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C8H8O3/c1-2-6-9-8(4-1)5-3-7-10-9;1-11-7-4-2-3-6(5-7)8(9)10/h1-7H;2-5H,1H3,(H,9,10)
InChIKeyFARALHGBLCNDCR-UHFFFAOYSA-N
XLogP3.63
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methoxybenzoic acid;quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;quinoline-6-carboxylic acid
CID 91364452
acetic acid;quinoline
CID 67159702
carbonic acid;quinoline
CID 23206844
(3-methoxyphenyl)-quinolin-4-ylmethanone
CID 86811128
3-quinolin-7-ylbenzoic acid
CID 81224892
ethene;6-methoxyquinoline
CID 174599262
2-[(Z)-N-hydroxy-C-(3-methoxyphenyl)carbonimidoyl]pyridine-4-carboxylic acid
CID 137246226
1-phenylpropan-1-one;quinoline
CID 174570718
1-(3-methoxyphenyl)-3-pyrimidin-2-ylpropane-1,3-dione
CID 114552675
CID 174778702
CID 174778702
N-[1-(3-methoxyphenyl)ethyl]quinoline-6-carboxamide
CID 69276532
1-(3-methoxyphenyl)-2-naphthalen-2-ylethane-1,2-dione
CID 170457473

Frequently Asked Questions

What is the IUPAC name of 3-methoxybenzoic acid;quinoline?
The IUPAC name of 3-methoxybenzoic acid;quinoline (CID 67785482) is 3-methoxybenzoic acid;quinoline.
What is the SMILES notation for 3-methoxybenzoic acid;quinoline?
The canonical SMILES for 3-methoxybenzoic acid;quinoline is COc1cccc(C(=O)O)c1.c1ccc2ncccc2c1.
What is the InChIKey of 3-methoxybenzoic acid;quinoline?
The InChIKey is FARALHGBLCNDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C8H8O3/c1-2-6-9-8(4-1)5-3-7-10-9;1-11-7-4-2-3-6(5-7)8(9)10/h1-7H;2-5H,1H3,(H,9,10).
What are the key properties of 3-methoxybenzoic acid;quinoline?
3-methoxybenzoic acid;quinoline has a molecular weight of 281.31 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxybenzoic acid;quinoline is sourced from PubChem (CID 67785482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).