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

C19H14ClNO2 — CID 71556165

IUPAC6-chloro-2-cyclopropyl-4-phenylquinoline-3-carboxylic acid
SMILESO=C(O)c1c(C2CC2)nc2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C19H14ClNO2/c20-13-8-9-15-14(10-13)16(11-4-2-1-3-5-11)17(19(22)23)18(21-15)12-6-7-12/h1-5,8-10,12H,6-7H2,(H,22,23)
InChIKeyOKOHKZNRTKWMBM-UHFFFAOYSA-N
MW323.78 g/mol
LogP5.13
Rot. Bonds3

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

6-chloro-2-cyclopropyl-4-phenylquinoline-3-carboxylic acid (PubChem CID 71556165) has the molecular formula C19H14ClNO2 and a molecular weight of 323.78 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-4-phenylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-4-phenylquinoline-3-carboxylic acid
PubChem CID71556165
Molecular FormulaC19H14ClNO2
Molecular Weight323.78 g/mol
Exact Mass323.07
IUPAC Name6-chloro-2-cyclopropyl-4-phenylquinoline-3-carboxylic acid
SMILESO=C(O)c1c(C2CC2)nc2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C19H14ClNO2/c20-13-8-9-15-14(10-13)16(11-4-2-1-3-5-11)17(19(22)23)18(21-15)12-6-7-12/h1-5,8-10,12H,6-7H2,(H,22,23)
InChIKeyOKOHKZNRTKWMBM-UHFFFAOYSA-N
XLogP5.13
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.78
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-4-phenylquinoline-3-carboxylic acid?
The IUPAC name of 6-chloro-2-cyclopropyl-4-phenylquinoline-3-carboxylic acid (CID 71556165) is 6-chloro-2-cyclopropyl-4-phenylquinoline-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-cyclopropyl-4-phenylquinoline-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-cyclopropyl-4-phenylquinoline-3-carboxylic acid is O=C(O)c1c(C2CC2)nc2ccc(Cl)cc2c1-c1ccccc1.
What is the InChIKey of 6-chloro-2-cyclopropyl-4-phenylquinoline-3-carboxylic acid?
The InChIKey is OKOHKZNRTKWMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO2/c20-13-8-9-15-14(10-13)16(11-4-2-1-3-5-11)17(19(22)23)18(21-15)12-6-7-12/h1-5,8-10,12H,6-7H2,(H,22,23).
What are the key properties of 6-chloro-2-cyclopropyl-4-phenylquinoline-3-carboxylic acid?
6-chloro-2-cyclopropyl-4-phenylquinoline-3-carboxylic acid has a molecular weight of 323.78 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-4-phenylquinoline-3-carboxylic acid is sourced from PubChem (CID 71556165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).