4-(2,4-dichlorophenyl)-3-methylquinoline-6-carboxylic acid

C17H11Cl2NO2 — CID 67961044

IUPAC4-(2,4-dichlorophenyl)-3-methylquinoline-6-carboxylic acid
SMILESCc1cnc2ccc(C(=O)O)cc2c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H11Cl2NO2/c1-9-8-20-15-5-2-10(17(21)22)6-13(15)16(9)12-4-3-11(18)7-14(12)19/h2-8H,1H3,(H,21,22)
InChIKeyUQWPAZUKIYNDGN-UHFFFAOYSA-N
MW332.19 g/mol
LogP5.22
Rot. Bonds2

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

4-(2,4-dichlorophenyl)-3-methylquinoline-6-carboxylic acid (PubChem CID 67961044) has the molecular formula C17H11Cl2NO2 and a molecular weight of 332.19 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-3-methylquinoline-6-carboxylic acid.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-3-methylquinoline-6-carboxylic acid
PubChem CID67961044
Molecular FormulaC17H11Cl2NO2
Molecular Weight332.19 g/mol
Exact Mass331.02
IUPAC Name4-(2,4-dichlorophenyl)-3-methylquinoline-6-carboxylic acid
SMILESCc1cnc2ccc(C(=O)O)cc2c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H11Cl2NO2/c1-9-8-20-15-5-2-10(17(21)22)6-13(15)16(9)12-4-3-11(18)7-14(12)19/h2-8H,1H3,(H,21,22)
InChIKeyUQWPAZUKIYNDGN-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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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-3-methylquinoline-6-carboxylic acid?
The IUPAC name of 4-(2,4-dichlorophenyl)-3-methylquinoline-6-carboxylic acid (CID 67961044) is 4-(2,4-dichlorophenyl)-3-methylquinoline-6-carboxylic acid.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-3-methylquinoline-6-carboxylic acid?
The canonical SMILES for 4-(2,4-dichlorophenyl)-3-methylquinoline-6-carboxylic acid is Cc1cnc2ccc(C(=O)O)cc2c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenyl)-3-methylquinoline-6-carboxylic acid?
The InChIKey is UQWPAZUKIYNDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO2/c1-9-8-20-15-5-2-10(17(21)22)6-13(15)16(9)12-4-3-11(18)7-14(12)19/h2-8H,1H3,(H,21,22).
What are the key properties of 4-(2,4-dichlorophenyl)-3-methylquinoline-6-carboxylic acid?
4-(2,4-dichlorophenyl)-3-methylquinoline-6-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 4-(2,4-dichlorophenyl)-3-methylquinoline-6-carboxylic acid is sourced from PubChem (CID 67961044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).