3-(6-chloro-2-methylquinolin-4-yl)butanoic acid

C14H14ClNO2 — CID 82666719

IUPAC3-(6-chloro-2-methylquinolin-4-yl)butanoic acid
SMILESCc1cc(C(C)CC(=O)O)c2cc(Cl)ccc2n1
InChIInChI=1S/C14H14ClNO2/c1-8(5-14(17)18)11-6-9(2)16-13-4-3-10(15)7-12(11)13/h3-4,6-8H,5H2,1-2H3,(H,17,18)
InChIKeyIZCLUHSXEXRKSS-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.77
Rot. Bonds3

About 3-(6-chloro-2-methylquinolin-4-yl)butanoic acid

3-(6-chloro-2-methylquinolin-4-yl)butanoic acid (PubChem CID 82666719) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 3-(6-chloro-2-methylquinolin-4-yl)butanoic acid.

Molecular Properties

Compound Name3-(6-chloro-2-methylquinolin-4-yl)butanoic acid
PubChem CID82666719
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name3-(6-chloro-2-methylquinolin-4-yl)butanoic acid
SMILESCc1cc(C(C)CC(=O)O)c2cc(Cl)ccc2n1
InChIInChI=1S/C14H14ClNO2/c1-8(5-14(17)18)11-6-9(2)16-13-4-3-10(15)7-12(11)13/h3-4,6-8H,5H2,1-2H3,(H,17,18)
InChIKeyIZCLUHSXEXRKSS-UHFFFAOYSA-N
XLogP3.77
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-2-hydroxyphenyl)butanoic acid
CID 131360559
3-(6-chloro-1,3-benzothiazol-2-yl)butanoic acid
CID 119086695
3-(2-chloro-3,4-difluorophenyl)butanoic acid
CID 84698120
1-(7-chloro-2-methylquinolin-4-yl)ethanol
CID 82576033
3-(5-chloro-2-methoxy-3-methylphenyl)butanoic acid
CID 82293511
3-chloro-3-(5-chloro-2-methylphenyl)propanoic acid
CID 82366837
6-chloro-4-methylquinazoline-2-carboxylic acid
CID 84788769
N-[(6-chloro-2-methylquinolin-4-yl)methyl]ethanamine
CID 82449107
3-(3-chlorophenyl)butanoic acid
CID 71683749
3-(4-chloro-2-methylphenyl)-3-hydroxypropanoic acid
CID 104880183
3-(4-chloro-2-methylphenyl)pentanedioic acid
CID 66759290
1-(6-chloro-2-methylquinolin-4-yl)-N-methylmethanamine
CID 82449106

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2-methylquinolin-4-yl)butanoic acid?
The IUPAC name of 3-(6-chloro-2-methylquinolin-4-yl)butanoic acid (CID 82666719) is 3-(6-chloro-2-methylquinolin-4-yl)butanoic acid.
What is the SMILES notation for 3-(6-chloro-2-methylquinolin-4-yl)butanoic acid?
The canonical SMILES for 3-(6-chloro-2-methylquinolin-4-yl)butanoic acid is Cc1cc(C(C)CC(=O)O)c2cc(Cl)ccc2n1.
What is the InChIKey of 3-(6-chloro-2-methylquinolin-4-yl)butanoic acid?
The InChIKey is IZCLUHSXEXRKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-8(5-14(17)18)11-6-9(2)16-13-4-3-10(15)7-12(11)13/h3-4,6-8H,5H2,1-2H3,(H,17,18).
What are the key properties of 3-(6-chloro-2-methylquinolin-4-yl)butanoic acid?
3-(6-chloro-2-methylquinolin-4-yl)butanoic acid has a molecular weight of 263.72 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2-methylquinolin-4-yl)butanoic acid is sourced from PubChem (CID 82666719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).