2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]propanoic acid

C19H15BrClNO2 — CID 90655879

IUPAC2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]propanoic acid
SMILESCc1nc2ccc(Br)cc2c(-c2ccc(Cl)cc2)c1C(C)C(=O)O
InChIInChI=1S/C19H15BrClNO2/c1-10(19(23)24)17-11(2)22-16-8-5-13(20)9-15(16)18(17)12-3-6-14(21)7-4-12/h3-10H,1-2H3,(H,23,24)
InChIKeyGZHACSHOVRMHTE-UHFFFAOYSA-N
MW404.69 g/mol
LogP5.81
Rot. Bonds3

About 2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]propanoic acid

2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]propanoic acid (PubChem CID 90655879) has the molecular formula C19H15BrClNO2 and a molecular weight of 404.69 g/mol. Its IUPAC name is 2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]propanoic acid
PubChem CID90655879
Molecular FormulaC19H15BrClNO2
Molecular Weight404.69 g/mol
Exact Mass403.00
IUPAC Name2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]propanoic acid
SMILESCc1nc2ccc(Br)cc2c(-c2ccc(Cl)cc2)c1C(C)C(=O)O
InChIInChI=1S/C19H15BrClNO2/c1-10(19(23)24)17-11(2)22-16-8-5-13(20)9-15(16)18(17)12-3-6-14(21)7-4-12/h3-10H,1-2H3,(H,23,24)
InChIKeyGZHACSHOVRMHTE-UHFFFAOYSA-N
XLogP5.81
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.69
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]propanoic acid?
The IUPAC name of 2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]propanoic acid (CID 90655879) is 2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]propanoic acid.
What is the SMILES notation for 2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]propanoic acid?
The canonical SMILES for 2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]propanoic acid is Cc1nc2ccc(Br)cc2c(-c2ccc(Cl)cc2)c1C(C)C(=O)O.
What is the InChIKey of 2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]propanoic acid?
The InChIKey is GZHACSHOVRMHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClNO2/c1-10(19(23)24)17-11(2)22-16-8-5-13(20)9-15(16)18(17)12-3-6-14(21)7-4-12/h3-10H,1-2H3,(H,23,24).
What are the key properties of 2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]propanoic acid?
2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]propanoic acid has a molecular weight of 404.69 g/mol, XLogP of 5.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]propanoic acid is sourced from PubChem (CID 90655879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).