2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid

C17H11Cl2NO2 — CID 5202236

IUPAC2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
SMILESCc1cccc2c(C(=O)O)cc(-c3ccc(Cl)c(Cl)c3)nc12
InChIInChI=1S/C17H11Cl2NO2/c1-9-3-2-4-11-12(17(21)22)8-15(20-16(9)11)10-5-6-13(18)14(19)7-10/h2-8H,1H3,(H,21,22)
InChIKeyOMBDUNOHUSNPNN-UHFFFAOYSA-N
MW332.19 g/mol
LogP5.22
Rot. Bonds2

About 2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid

2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid (PubChem CID 5202236) has the molecular formula C17H11Cl2NO2 and a molecular weight of 332.19 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
PubChem CID5202236
Molecular FormulaC17H11Cl2NO2
Molecular Weight332.19 g/mol
Exact Mass331.02
IUPAC Name2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
SMILESCc1cccc2c(C(=O)O)cc(-c3ccc(Cl)c(Cl)c3)nc12
InChIInChI=1S/C17H11Cl2NO2/c1-9-3-2-4-11-12(17(21)22)8-15(20-16(9)11)10-5-6-13(18)14(19)7-10/h2-8H,1H3,(H,21,22)
InChIKeyOMBDUNOHUSNPNN-UHFFFAOYSA-N
XLogP5.22
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.19
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
CID 3952156
8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxylic acid
CID 50889237
2-(3,4-diethoxyphenyl)-8-methylquinoline-4-carboxylic acid
CID 7139654
2-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-8-methylquinoline-4-carboxylic acid
CID 18874811
8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 4746270
8-methyl-2-(4-pentoxyphenyl)quinoline-4-carboxylic acid
CID 7139668
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-8-methylquinoline-4-carboxylic acid
CID 7139641
(4-methylphenyl) 2-(4-chlorophenyl)-8-methylquinoline-4-carboxylate
CID 5159721
2-(3-methoxy-4-pentoxyphenyl)-8-methylquinoline-4-carboxylic acid
CID 7139672
2-(4-chlorophenyl)-8-propan-2-ylquinoline-4-carboxylic acid
CID 3973517
2-(5-bromofuran-2-yl)-8-methylquinoline-4-carboxylic acid
CID 104653272
2-(2,5-dibromophenyl)-8-methylquinoline-4-carboxylic acid
CID 50889207

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid?
The IUPAC name of 2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid (CID 5202236) is 2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid is Cc1cccc2c(C(=O)O)cc(-c3ccc(Cl)c(Cl)c3)nc12.
What is the InChIKey of 2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid?
The InChIKey is OMBDUNOHUSNPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO2/c1-9-3-2-4-11-12(17(21)22)8-15(20-16(9)11)10-5-6-13(18)14(19)7-10/h2-8H,1H3,(H,21,22).
What are the key properties of 2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid?
2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid has a molecular weight of 332.19 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 5202236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).