3-methyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)butanoic acid

C15H19NO3 — CID 79829837

IUPAC3-methyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)butanoic acid
SMILESCN1C(=O)CCc2cc(C(C)(C)CC(=O)O)ccc21
InChIInChI=1S/C15H19NO3/c1-15(2,9-14(18)19)11-5-6-12-10(8-11)4-7-13(17)16(12)3/h5-6,8H,4,7,9H2,1-3H3,(H,18,19)
InChIKeyPQCYAAFUANGIJC-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.35
Rot. Bonds3

About 3-methyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)butanoic acid

3-methyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)butanoic acid (PubChem CID 79829837) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-methyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)butanoic acid.

Molecular Properties

Compound Name3-methyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)butanoic acid
PubChem CID79829837
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-methyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)butanoic acid
SMILESCN1C(=O)CCc2cc(C(C)(C)CC(=O)O)ccc21
InChIInChI=1S/C15H19NO3/c1-15(2,9-14(18)19)11-5-6-12-10(8-11)4-7-13(17)16(12)3/h5-6,8H,4,7,9H2,1-3H3,(H,18,19)
InChIKeyPQCYAAFUANGIJC-UHFFFAOYSA-N
XLogP2.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-(1-methyl-2,3-dihydroindol-5-yl)butanoic acid
CID 117338677
6-(2-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117312742
3,3-dimethyl-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanoic acid
CID 63106686
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid
CID 82116153
6-(2-amino-1,1-difluoro-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116839401
[2-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propyl]urea
CID 115168782
6-(2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116928650
6-[1-(hydroxymethyl)cyclopropanecarbonyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 116921112
5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-oxopentanoic acid
CID 63095218
4-tert-butyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 18571261
1,6-dimethyl-3,4-dihydroquinolin-2-one
CID 20546933
3-(2,3-dihydro-1H-indol-5-yl)-3-methylbutanoic acid
CID 116998166

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)butanoic acid?
The IUPAC name of 3-methyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)butanoic acid (CID 79829837) is 3-methyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)butanoic acid.
What is the SMILES notation for 3-methyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)butanoic acid?
The canonical SMILES for 3-methyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)butanoic acid is CN1C(=O)CCc2cc(C(C)(C)CC(=O)O)ccc21.
What is the InChIKey of 3-methyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)butanoic acid?
The InChIKey is PQCYAAFUANGIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-15(2,9-14(18)19)11-5-6-12-10(8-11)4-7-13(17)16(12)3/h5-6,8H,4,7,9H2,1-3H3,(H,18,19).
What are the key properties of 3-methyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)butanoic acid?
3-methyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)butanoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)butanoic acid is sourced from PubChem (CID 79829837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).