2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid

C14H19NO2 — CID 43808966

IUPAC2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
SMILESCCC(C(=O)O)N1CCCc2cc(C)ccc21
InChIInChI=1S/C14H19NO2/c1-3-12(14(16)17)15-8-4-5-11-9-10(2)6-7-13(11)15/h6-7,9,12H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyUCTXVMCRSLKXRR-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.61
Rot. Bonds3

About 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid

2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid (PubChem CID 43808966) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
PubChem CID43808966
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
SMILESCCC(C(=O)O)N1CCCc2cc(C)ccc21
InChIInChI=1S/C14H19NO2/c1-3-12(14(16)17)15-8-4-5-11-9-10(2)6-7-13(11)15/h6-7,9,12H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyUCTXVMCRSLKXRR-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate
CID 64661866
3-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 64692920
2-methyl-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 43538734
2-ethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 112762126
3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide
CID 43174989
2-(3,4-dihydro-2H-quinolin-1-yl)butanamide
CID 62901418
3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanethioamide
CID 54945043
(2S)-N-(4-acetamidophenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 8593571
3-amino-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 60989148
N-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 14511671
2-methyl-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid
CID 79791498
3-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 62964343

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid?
The IUPAC name of 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid (CID 43808966) is 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid.
What is the SMILES notation for 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid?
The canonical SMILES for 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid is CCC(C(=O)O)N1CCCc2cc(C)ccc21.
What is the InChIKey of 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid?
The InChIKey is UCTXVMCRSLKXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-12(14(16)17)15-8-4-5-11-9-10(2)6-7-13(11)15/h6-7,9,12H,3-5,8H2,1-2H3,(H,16,17).
What are the key properties of 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid?
2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid is sourced from PubChem (CID 43808966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).