6-chloro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid

C22H13ClFNO2 — CID 153380364

IUPAC6-chloro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-c3ccc(F)cc3)cc2)nc2ccc(Cl)cc12
InChIInChI=1S/C22H13ClFNO2/c23-16-7-10-20-18(11-16)19(22(26)27)12-21(25-20)15-3-1-13(2-4-15)14-5-8-17(24)9-6-14/h1-12H,(H,26,27)
InChIKeySXVOTQRMSFYWPK-UHFFFAOYSA-N
MW377.80 g/mol
LogP6.06
Rot. Bonds3

About 6-chloro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid

6-chloro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid (PubChem CID 153380364) has the molecular formula C22H13ClFNO2 and a molecular weight of 377.80 g/mol. Its IUPAC name is 6-chloro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid
PubChem CID153380364
Molecular FormulaC22H13ClFNO2
Molecular Weight377.80 g/mol
Exact Mass377.06
IUPAC Name6-chloro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-c3ccc(F)cc3)cc2)nc2ccc(Cl)cc12
InChIInChI=1S/C22H13ClFNO2/c23-16-7-10-20-18(11-16)19(22(26)27)12-21(25-20)15-3-1-13(2-4-15)14-5-8-17(24)9-6-14/h1-12H,(H,26,27)
InChIKeySXVOTQRMSFYWPK-UHFFFAOYSA-N
XLogP6.06
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.80
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid?
The IUPAC name of 6-chloro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid (CID 153380364) is 6-chloro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 6-chloro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccc(-c3ccc(F)cc3)cc2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid?
The InChIKey is SXVOTQRMSFYWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClFNO2/c23-16-7-10-20-18(11-16)19(22(26)27)12-21(25-20)15-3-1-13(2-4-15)14-5-8-17(24)9-6-14/h1-12H,(H,26,27).
What are the key properties of 6-chloro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid?
6-chloro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid has a molecular weight of 377.80 g/mol, XLogP of 6.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 153380364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).