7-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxylic acid

C23H15Cl2NO3 — CID 162442508

IUPAC7-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)c3ccc(-c4ccc(Cl)c(Cl)c4)cc3n2)cc1
InChIInChI=1S/C23H15Cl2NO3/c1-29-16-6-2-13(3-7-16)21-12-18(23(27)28)17-8-4-15(11-22(17)26-21)14-5-9-19(24)20(25)10-14/h2-12H,1H3,(H,27,28)
InChIKeyJRUSEBLWBHCTKV-UHFFFAOYSA-N
MW424.28 g/mol
LogP6.58
Rot. Bonds4

About 7-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxylic acid

7-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxylic acid (PubChem CID 162442508) has the molecular formula C23H15Cl2NO3 and a molecular weight of 424.28 g/mol. Its IUPAC name is 7-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
PubChem CID162442508
Molecular FormulaC23H15Cl2NO3
Molecular Weight424.28 g/mol
Exact Mass423.04
IUPAC Name7-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)c3ccc(-c4ccc(Cl)c(Cl)c4)cc3n2)cc1
InChIInChI=1S/C23H15Cl2NO3/c1-29-16-6-2-13(3-7-16)21-12-18(23(27)28)17-8-4-15(11-22(17)26-21)14-5-9-19(24)20(25)10-14/h2-12H,1H3,(H,27,28)
InChIKeyJRUSEBLWBHCTKV-UHFFFAOYSA-N
XLogP6.58
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.28
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(4-tert-butylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 162442478
2-(3,4-dichlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 134913947
6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 4277393
7-methoxy-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid
CID 18073526
N-(3,4-dichlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide
CID 175308074
2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 18073642
8-(4-methoxyphenyl)-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid
CID 18073731
6,7-dimethoxy-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 18073657
6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid
CID 3321960
2-(3-chloro-4-methoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid
CID 3925337
N-(4-chlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide
CID 164619676
2-(4-acetyloxyphenyl)quinoline-4-carboxylic acid
CID 67205145

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 7-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxylic acid (CID 162442508) is 7-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 7-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 7-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxylic acid is COc1ccc(-c2cc(C(=O)O)c3ccc(-c4ccc(Cl)c(Cl)c4)cc3n2)cc1.
What is the InChIKey of 7-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxylic acid?
The InChIKey is JRUSEBLWBHCTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2NO3/c1-29-16-6-2-13(3-7-16)21-12-18(23(27)28)17-8-4-15(11-22(17)26-21)14-5-9-19(24)20(25)10-14/h2-12H,1H3,(H,27,28).
What are the key properties of 7-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxylic acid?
7-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxylic acid has a molecular weight of 424.28 g/mol, XLogP of 6.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 162442508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).