2-(2,5-dimethylphenyl)-6-methoxyquinoline-4-carboxylic acid

C19H17NO3 — CID 3263095

IUPAC2-(2,5-dimethylphenyl)-6-methoxyquinoline-4-carboxylic acid
SMILESCOc1ccc2nc(-c3cc(C)ccc3C)cc(C(=O)O)c2c1
InChIInChI=1S/C19H17NO3/c1-11-4-5-12(2)14(8-11)18-10-16(19(21)22)15-9-13(23-3)6-7-17(15)20-18/h4-10H,1-3H3,(H,21,22)
InChIKeyIZVRWNQSESSWBU-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.23
Rot. Bonds3

About 2-(2,5-dimethylphenyl)-6-methoxyquinoline-4-carboxylic acid

2-(2,5-dimethylphenyl)-6-methoxyquinoline-4-carboxylic acid (PubChem CID 3263095) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-6-methoxyquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-6-methoxyquinoline-4-carboxylic acid
PubChem CID3263095
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name2-(2,5-dimethylphenyl)-6-methoxyquinoline-4-carboxylic acid
SMILESCOc1ccc2nc(-c3cc(C)ccc3C)cc(C(=O)O)c2c1
InChIInChI=1S/C19H17NO3/c1-11-4-5-12(2)14(8-11)18-10-16(19(21)22)15-9-13(23-3)6-7-17(15)20-18/h4-10H,1-3H3,(H,21,22)
InChIKeyIZVRWNQSESSWBU-UHFFFAOYSA-N
XLogP4.23
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 841838
6-tert-butyl-2-(2,5-dimethylphenyl)quinoline-4-carboxylic acid
CID 3879145
6-methoxy-2-(5-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 69110989
6-chloro-2-(2,4-dimethoxyphenyl)quinoline-4-carboxylic acid
CID 138811121
2-[5-(4-methoxyphenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid
CID 51368379
[2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 42749995
2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 15376151
6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 4277393
2-(2,4-diethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 3507309
6-tert-butyl-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid
CID 3921537
azane;6-methoxyquinoline-4-carboxylic acid
CID 67151937
2-(4-methoxyphenyl)-6-methyl-N-pentylquinoline-4-carboxamide
CID 42749978

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-6-methoxyquinoline-4-carboxylic acid?
The IUPAC name of 2-(2,5-dimethylphenyl)-6-methoxyquinoline-4-carboxylic acid (CID 3263095) is 2-(2,5-dimethylphenyl)-6-methoxyquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-6-methoxyquinoline-4-carboxylic acid?
The canonical SMILES for 2-(2,5-dimethylphenyl)-6-methoxyquinoline-4-carboxylic acid is COc1ccc2nc(-c3cc(C)ccc3C)cc(C(=O)O)c2c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-6-methoxyquinoline-4-carboxylic acid?
The InChIKey is IZVRWNQSESSWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-11-4-5-12(2)14(8-11)18-10-16(19(21)22)15-9-13(23-3)6-7-17(15)20-18/h4-10H,1-3H3,(H,21,22).
What are the key properties of 2-(2,5-dimethylphenyl)-6-methoxyquinoline-4-carboxylic acid?
2-(2,5-dimethylphenyl)-6-methoxyquinoline-4-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-6-methoxyquinoline-4-carboxylic acid is sourced from PubChem (CID 3263095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).