7-chloro-4-(2-fluorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid

C19H15ClFNO2 — CID 71556225

IUPAC7-chloro-4-(2-fluorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid
SMILESCC(C)c1nc2cc(Cl)ccc2c(-c2ccccc2F)c1C(=O)O
InChIInChI=1S/C19H15ClFNO2/c1-10(2)18-17(19(23)24)16(12-5-3-4-6-14(12)21)13-8-7-11(20)9-15(13)22-18/h3-10H,1-2H3,(H,23,24)
InChIKeyLVARBTUOHBKNRF-UHFFFAOYSA-N
MW343.79 g/mol
LogP5.52
Rot. Bonds3

About 7-chloro-4-(2-fluorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid

7-chloro-4-(2-fluorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid (PubChem CID 71556225) has the molecular formula C19H15ClFNO2 and a molecular weight of 343.79 g/mol. Its IUPAC name is 7-chloro-4-(2-fluorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-4-(2-fluorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid
PubChem CID71556225
Molecular FormulaC19H15ClFNO2
Molecular Weight343.79 g/mol
Exact Mass343.08
IUPAC Name7-chloro-4-(2-fluorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid
SMILESCC(C)c1nc2cc(Cl)ccc2c(-c2ccccc2F)c1C(=O)O
InChIInChI=1S/C19H15ClFNO2/c1-10(2)18-17(19(23)24)16(12-5-3-4-6-14(12)21)13-8-7-11(20)9-15(13)22-18/h3-10H,1-2H3,(H,23,24)
InChIKeyLVARBTUOHBKNRF-UHFFFAOYSA-N
XLogP5.52
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.79
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(2-fluorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid?
The IUPAC name of 7-chloro-4-(2-fluorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid (CID 71556225) is 7-chloro-4-(2-fluorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid.
What is the SMILES notation for 7-chloro-4-(2-fluorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid?
The canonical SMILES for 7-chloro-4-(2-fluorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid is CC(C)c1nc2cc(Cl)ccc2c(-c2ccccc2F)c1C(=O)O.
What is the InChIKey of 7-chloro-4-(2-fluorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid?
The InChIKey is LVARBTUOHBKNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO2/c1-10(2)18-17(19(23)24)16(12-5-3-4-6-14(12)21)13-8-7-11(20)9-15(13)22-18/h3-10H,1-2H3,(H,23,24).
What are the key properties of 7-chloro-4-(2-fluorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid?
7-chloro-4-(2-fluorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid has a molecular weight of 343.79 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(2-fluorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid is sourced from PubChem (CID 71556225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).