2-(3,4-dichlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid

C18H13Cl2NO4 — CID 134913947

IUPAC2-(3,4-dichlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
SMILESCOc1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(=O)O)c2cc1OC
InChIInChI=1S/C18H13Cl2NO4/c1-24-16-7-10-11(18(22)23)6-14(21-15(10)8-17(16)25-2)9-3-4-12(19)13(20)5-9/h3-8H,1-2H3,(H,22,23)
InChIKeyMOTHMYDZBVIXAE-UHFFFAOYSA-N
MW378.21 g/mol
LogP4.92
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid

2-(3,4-dichlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid (PubChem CID 134913947) has the molecular formula C18H13Cl2NO4 and a molecular weight of 378.21 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
PubChem CID134913947
Molecular FormulaC18H13Cl2NO4
Molecular Weight378.21 g/mol
Exact Mass377.02
IUPAC Name2-(3,4-dichlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
SMILESCOc1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(=O)O)c2cc1OC
InChIInChI=1S/C18H13Cl2NO4/c1-24-16-7-10-11(18(22)23)6-14(21-15(10)8-17(16)25-2)9-3-4-12(19)13(20)5-9/h3-8H,1-2H3,(H,22,23)
InChIKeyMOTHMYDZBVIXAE-UHFFFAOYSA-N
XLogP4.92
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.21
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 18073642
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
7-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 162442508
6,7-dimethoxy-2-thiophen-3-ylquinoline-4-carboxylic acid
CID 18073660
2-(3-chloro-4-methoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid
CID 3925337
3-(3,4-dichlorophenyl)-6,7-dimethoxy-1-methylisoquinoline
CID 25165022
6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 4277393
2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 3492969
6-butan-2-yl-2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid
CID 3384731
2-(4-chlorophenyl)-6,7-dimethylquinoline-4-carboxylic acid
CID 18073531
2-(3-chlorophenyl)-5,6,7-trimethoxyquinoline-4-carboxylic acid
CID 18073587

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid?
The IUPAC name of 2-(3,4-dichlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid (CID 134913947) is 2-(3,4-dichlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid?
The canonical SMILES for 2-(3,4-dichlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid is COc1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(=O)O)c2cc1OC.
What is the InChIKey of 2-(3,4-dichlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid?
The InChIKey is MOTHMYDZBVIXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO4/c1-24-16-7-10-11(18(22)23)6-14(21-15(10)8-17(16)25-2)9-3-4-12(19)13(20)5-9/h3-8H,1-2H3,(H,22,23).
What are the key properties of 2-(3,4-dichlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid?
2-(3,4-dichlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid has a molecular weight of 378.21 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid is sourced from PubChem (CID 134913947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).