4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxylic acid

C23H17ClN2O2 — CID 126593681

IUPAC4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxylic acid
SMILESCc1cc2nc(C(=O)O)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1
InChIInChI=1S/C23H17ClN2O2/c1-13-11-19-22(14(2)21(13)15-7-9-25-10-8-15)17(12-20(26-19)23(27)28)16-5-3-4-6-18(16)24/h3-12H,1-2H3,(H,27,28)
InChIKeyLTDOOGCAPSPRMJ-UHFFFAOYSA-N
MW388.85 g/mol
LogP5.93
Rot. Bonds3

About 4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxylic acid

4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxylic acid (PubChem CID 126593681) has the molecular formula C23H17ClN2O2 and a molecular weight of 388.85 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxylic acid
PubChem CID126593681
Molecular FormulaC23H17ClN2O2
Molecular Weight388.85 g/mol
Exact Mass388.10
IUPAC Name4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxylic acid
SMILESCc1cc2nc(C(=O)O)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1
InChIInChI=1S/C23H17ClN2O2/c1-13-11-19-22(14(2)21(13)15-7-9-25-10-8-15)17(12-20(26-19)23(27)28)16-5-3-4-6-18(16)24/h3-12H,1-2H3,(H,27,28)
InChIKeyLTDOOGCAPSPRMJ-UHFFFAOYSA-N
XLogP5.93
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.85
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxylic acid?
The IUPAC name of 4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxylic acid (CID 126593681) is 4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxylic acid.
What is the SMILES notation for 4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxylic acid?
The canonical SMILES for 4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxylic acid is Cc1cc2nc(C(=O)O)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1.
What is the InChIKey of 4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxylic acid?
The InChIKey is LTDOOGCAPSPRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O2/c1-13-11-19-22(14(2)21(13)15-7-9-25-10-8-15)17(12-20(26-19)23(27)28)16-5-3-4-6-18(16)24/h3-12H,1-2H3,(H,27,28).
What are the key properties of 4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxylic acid?
4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxylic acid has a molecular weight of 388.85 g/mol, XLogP of 5.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxylic acid is sourced from PubChem (CID 126593681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).