2-(3-chloro-4-methoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid

C19H16ClNO4 — CID 3925337

IUPAC2-(3-chloro-4-methoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid
SMILESCCOc1ccc2nc(-c3ccc(OC)c(Cl)c3)cc(C(=O)O)c2c1
InChIInChI=1S/C19H16ClNO4/c1-3-25-12-5-6-16-13(9-12)14(19(22)23)10-17(21-16)11-4-7-18(24-2)15(20)8-11/h4-10H,3H2,1-2H3,(H,22,23)
InChIKeyLTAFFYCOWNURDC-UHFFFAOYSA-N
MW357.79 g/mol
LogP4.66
Rot. Bonds5

About 2-(3-chloro-4-methoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid

2-(3-chloro-4-methoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid (PubChem CID 3925337) has the molecular formula C19H16ClNO4 and a molecular weight of 357.79 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid
PubChem CID3925337
Molecular FormulaC19H16ClNO4
Molecular Weight357.79 g/mol
Exact Mass357.08
IUPAC Name2-(3-chloro-4-methoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid
SMILESCCOc1ccc2nc(-c3ccc(OC)c(Cl)c3)cc(C(=O)O)c2c1
InChIInChI=1S/C19H16ClNO4/c1-3-25-12-5-6-16-13(9-12)14(19(22)23)10-17(21-16)11-4-7-18(24-2)15(20)8-11/h4-10H,3H2,1-2H3,(H,22,23)
InChIKeyLTAFFYCOWNURDC-UHFFFAOYSA-N
XLogP4.66
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid
CID 3321960
6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid
CID 3511446
2-(3,4-dichlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 134913947
2-(4-ethoxyphenyl)-6-ethylquinoline-4-carboxylic acid
CID 4021744
6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 4277393
6-butan-2-yl-2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid
CID 3384731
2-(3-ethoxyphenyl)-8-methoxyquinoline-4-carboxylic acid
CID 7139832
6-butan-2-yl-2-(4-methoxy-3-methylphenyl)quinoline-4-carboxylic acid
CID 4023942
7-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 162442508
2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 3492969
2-(2,4-diethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 3507309
2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 18073642

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid (CID 3925337) is 2-(3-chloro-4-methoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid is CCOc1ccc2nc(-c3ccc(OC)c(Cl)c3)cc(C(=O)O)c2c1.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid?
The InChIKey is LTAFFYCOWNURDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4/c1-3-25-12-5-6-16-13(9-12)14(19(22)23)10-17(21-16)11-4-7-18(24-2)15(20)8-11/h4-10H,3H2,1-2H3,(H,22,23).
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid?
2-(3-chloro-4-methoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid has a molecular weight of 357.79 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid is sourced from PubChem (CID 3925337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).