6,8-dichloro-3-(4-chlorophenyl)-2-methylquinoline-4-carboxylic acid

C17H10Cl3NO2 — CID 632567

IUPAC6,8-dichloro-3-(4-chlorophenyl)-2-methylquinoline-4-carboxylic acid
SMILESCc1nc2c(Cl)cc(Cl)cc2c(C(=O)O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H10Cl3NO2/c1-8-14(9-2-4-10(18)5-3-9)15(17(22)23)12-6-11(19)7-13(20)16(12)21-8/h2-7H,1H3,(H,22,23)
InChIKeyQXVLPEWRAFJFQT-UHFFFAOYSA-N
MW366.63 g/mol
LogP5.87
Rot. Bonds2

About 6,8-dichloro-3-(4-chlorophenyl)-2-methylquinoline-4-carboxylic acid

6,8-dichloro-3-(4-chlorophenyl)-2-methylquinoline-4-carboxylic acid (PubChem CID 632567) has the molecular formula C17H10Cl3NO2 and a molecular weight of 366.63 g/mol. Its IUPAC name is 6,8-dichloro-3-(4-chlorophenyl)-2-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6,8-dichloro-3-(4-chlorophenyl)-2-methylquinoline-4-carboxylic acid
PubChem CID632567
Molecular FormulaC17H10Cl3NO2
Molecular Weight366.63 g/mol
Exact Mass364.98
IUPAC Name6,8-dichloro-3-(4-chlorophenyl)-2-methylquinoline-4-carboxylic acid
SMILESCc1nc2c(Cl)cc(Cl)cc2c(C(=O)O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H10Cl3NO2/c1-8-14(9-2-4-10(18)5-3-9)15(17(22)23)12-6-11(19)7-13(20)16(12)21-8/h2-7H,1H3,(H,22,23)
InChIKeyQXVLPEWRAFJFQT-UHFFFAOYSA-N
XLogP5.87
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-3-(4-chlorophenyl)-2-methylquinoline-4-carboxylic acid?
The IUPAC name of 6,8-dichloro-3-(4-chlorophenyl)-2-methylquinoline-4-carboxylic acid (CID 632567) is 6,8-dichloro-3-(4-chlorophenyl)-2-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 6,8-dichloro-3-(4-chlorophenyl)-2-methylquinoline-4-carboxylic acid?
The canonical SMILES for 6,8-dichloro-3-(4-chlorophenyl)-2-methylquinoline-4-carboxylic acid is Cc1nc2c(Cl)cc(Cl)cc2c(C(=O)O)c1-c1ccc(Cl)cc1.
What is the InChIKey of 6,8-dichloro-3-(4-chlorophenyl)-2-methylquinoline-4-carboxylic acid?
The InChIKey is QXVLPEWRAFJFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl3NO2/c1-8-14(9-2-4-10(18)5-3-9)15(17(22)23)12-6-11(19)7-13(20)16(12)21-8/h2-7H,1H3,(H,22,23).
What are the key properties of 6,8-dichloro-3-(4-chlorophenyl)-2-methylquinoline-4-carboxylic acid?
6,8-dichloro-3-(4-chlorophenyl)-2-methylquinoline-4-carboxylic acid has a molecular weight of 366.63 g/mol, XLogP of 5.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-3-(4-chlorophenyl)-2-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 632567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).