4-chloro-6-(dimethylamino)-2-phenylquinoline-3-carboxylic acid

C18H15ClN2O2 — CID 82220105

IUPAC4-chloro-6-(dimethylamino)-2-phenylquinoline-3-carboxylic acid
SMILESCN(C)c1ccc2nc(-c3ccccc3)c(C(=O)O)c(Cl)c2c1
InChIInChI=1S/C18H15ClN2O2/c1-21(2)12-8-9-14-13(10-12)16(19)15(18(22)23)17(20-14)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,22,23)
InChIKeyOAFBHXONGDOLEW-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.32
Rot. Bonds3

About 4-chloro-6-(dimethylamino)-2-phenylquinoline-3-carboxylic acid

4-chloro-6-(dimethylamino)-2-phenylquinoline-3-carboxylic acid (PubChem CID 82220105) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 4-chloro-6-(dimethylamino)-2-phenylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-6-(dimethylamino)-2-phenylquinoline-3-carboxylic acid
PubChem CID82220105
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name4-chloro-6-(dimethylamino)-2-phenylquinoline-3-carboxylic acid
SMILESCN(C)c1ccc2nc(-c3ccccc3)c(C(=O)O)c(Cl)c2c1
InChIInChI=1S/C18H15ClN2O2/c1-21(2)12-8-9-14-13(10-12)16(19)15(18(22)23)17(20-14)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,22,23)
InChIKeyOAFBHXONGDOLEW-UHFFFAOYSA-N
XLogP4.32
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(dimethylamino)-2-phenylquinoline-3-carboxylic acid?
The IUPAC name of 4-chloro-6-(dimethylamino)-2-phenylquinoline-3-carboxylic acid (CID 82220105) is 4-chloro-6-(dimethylamino)-2-phenylquinoline-3-carboxylic acid.
What is the SMILES notation for 4-chloro-6-(dimethylamino)-2-phenylquinoline-3-carboxylic acid?
The canonical SMILES for 4-chloro-6-(dimethylamino)-2-phenylquinoline-3-carboxylic acid is CN(C)c1ccc2nc(-c3ccccc3)c(C(=O)O)c(Cl)c2c1.
What is the InChIKey of 4-chloro-6-(dimethylamino)-2-phenylquinoline-3-carboxylic acid?
The InChIKey is OAFBHXONGDOLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-21(2)12-8-9-14-13(10-12)16(19)15(18(22)23)17(20-14)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,22,23).
What are the key properties of 4-chloro-6-(dimethylamino)-2-phenylquinoline-3-carboxylic acid?
4-chloro-6-(dimethylamino)-2-phenylquinoline-3-carboxylic acid has a molecular weight of 326.78 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(dimethylamino)-2-phenylquinoline-3-carboxylic acid is sourced from PubChem (CID 82220105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).