3-(4-chloro-2,8-dimethylquinolin-6-yl)propanoic acid

C14H14ClNO2 — CID 82578034

IUPAC3-(4-chloro-2,8-dimethylquinolin-6-yl)propanoic acid
SMILESCc1cc(Cl)c2cc(CCC(=O)O)cc(C)c2n1
InChIInChI=1S/C14H14ClNO2/c1-8-5-10(3-4-13(17)18)7-11-12(15)6-9(2)16-14(8)11/h5-7H,3-4H2,1-2H3,(H,17,18)
InChIKeyVYYANYCBBIOXQP-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.52
Rot. Bonds3

About 3-(4-chloro-2,8-dimethylquinolin-6-yl)propanoic acid

3-(4-chloro-2,8-dimethylquinolin-6-yl)propanoic acid (PubChem CID 82578034) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 3-(4-chloro-2,8-dimethylquinolin-6-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-chloro-2,8-dimethylquinolin-6-yl)propanoic acid
PubChem CID82578034
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name3-(4-chloro-2,8-dimethylquinolin-6-yl)propanoic acid
SMILESCc1cc(Cl)c2cc(CCC(=O)O)cc(C)c2n1
InChIInChI=1S/C14H14ClNO2/c1-8-5-10(3-4-13(17)18)7-11-12(15)6-9(2)16-14(8)11/h5-7H,3-4H2,1-2H3,(H,17,18)
InChIKeyVYYANYCBBIOXQP-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-2,6-dimethylquinolin-8-yl)propanoic acid
CID 82578036
3-(4-chloro-2-methylquinolin-7-yl)propanoic acid
CID 82578031
3-(2,4,8-trimethylquinolin-6-yl)propanamide
CID 82578358
3-[3,5-dichloro-4-(2,4-dimethylquinolin-6-yl)oxyphenyl]propanoic acid
CID 68528032
2-(4-chloro-2,6-dimethylquinolin-8-yl)acetic acid
CID 82574993
3-(4-bromo-3,5-dimethylphenyl)propanoic acid
CID 84805494
ethane;3-(4-hydroxy-3,5-dimethylphenyl)propanoic acid
CID 144504832
4-chloro-2,6-dimethylquinoline-8-carboxylic acid
CID 82574820
3-(2,4-dimethylquinolin-7-yl)propanoic acid
CID 82577927
3-(4-ethyl-3,5-dimethylphenyl)propanoic acid;yttrium
CID 59858101
methyl 3-(4,6-dichloro-2-methylquinolin-8-yl)propanoate
CID 82578256
3-(3-fluoro-4,5-dimethylphenyl)propanoic acid
CID 84773946

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2,8-dimethylquinolin-6-yl)propanoic acid?
The IUPAC name of 3-(4-chloro-2,8-dimethylquinolin-6-yl)propanoic acid (CID 82578034) is 3-(4-chloro-2,8-dimethylquinolin-6-yl)propanoic acid.
What is the SMILES notation for 3-(4-chloro-2,8-dimethylquinolin-6-yl)propanoic acid?
The canonical SMILES for 3-(4-chloro-2,8-dimethylquinolin-6-yl)propanoic acid is Cc1cc(Cl)c2cc(CCC(=O)O)cc(C)c2n1.
What is the InChIKey of 3-(4-chloro-2,8-dimethylquinolin-6-yl)propanoic acid?
The InChIKey is VYYANYCBBIOXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-8-5-10(3-4-13(17)18)7-11-12(15)6-9(2)16-14(8)11/h5-7H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 3-(4-chloro-2,8-dimethylquinolin-6-yl)propanoic acid?
3-(4-chloro-2,8-dimethylquinolin-6-yl)propanoic acid has a molecular weight of 263.72 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2,8-dimethylquinolin-6-yl)propanoic acid is sourced from PubChem (CID 82578034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).