6-chloro-2-ethyl-4-phenylquinoline-3-carboxylic acid

C18H14ClNO2 — CID 171347829

IUPAC6-chloro-2-ethyl-4-phenylquinoline-3-carboxylic acid
SMILESCCc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C18H14ClNO2/c1-2-14-17(18(21)22)16(11-6-4-3-5-7-11)13-10-12(19)8-9-15(13)20-14/h3-10H,2H2,1H3,(H,21,22)
InChIKeyHRDNOJGUHXSWRB-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.82
Rot. Bonds3

About 6-chloro-2-ethyl-4-phenylquinoline-3-carboxylic acid

6-chloro-2-ethyl-4-phenylquinoline-3-carboxylic acid (PubChem CID 171347829) has the molecular formula C18H14ClNO2 and a molecular weight of 311.77 g/mol. Its IUPAC name is 6-chloro-2-ethyl-4-phenylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-ethyl-4-phenylquinoline-3-carboxylic acid
PubChem CID171347829
Molecular FormulaC18H14ClNO2
Molecular Weight311.77 g/mol
Exact Mass311.07
IUPAC Name6-chloro-2-ethyl-4-phenylquinoline-3-carboxylic acid
SMILESCCc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C18H14ClNO2/c1-2-14-17(18(21)22)16(11-6-4-3-5-7-11)13-10-12(19)8-9-15(13)20-14/h3-10H,2H2,1H3,(H,21,22)
InChIKeyHRDNOJGUHXSWRB-UHFFFAOYSA-N
XLogP4.82
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-4-phenylquinoline-3-carboxylic acid?
The IUPAC name of 6-chloro-2-ethyl-4-phenylquinoline-3-carboxylic acid (CID 171347829) is 6-chloro-2-ethyl-4-phenylquinoline-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-ethyl-4-phenylquinoline-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-ethyl-4-phenylquinoline-3-carboxylic acid is CCc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)O.
What is the InChIKey of 6-chloro-2-ethyl-4-phenylquinoline-3-carboxylic acid?
The InChIKey is HRDNOJGUHXSWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2/c1-2-14-17(18(21)22)16(11-6-4-3-5-7-11)13-10-12(19)8-9-15(13)20-14/h3-10H,2H2,1H3,(H,21,22).
What are the key properties of 6-chloro-2-ethyl-4-phenylquinoline-3-carboxylic acid?
6-chloro-2-ethyl-4-phenylquinoline-3-carboxylic acid has a molecular weight of 311.77 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-4-phenylquinoline-3-carboxylic acid is sourced from PubChem (CID 171347829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).