5,5-dimethyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]hexanoic acid

C19H28N2O3 — CID 174219538

IUPAC5,5-dimethyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]hexanoic acid
SMILESCN1C(=O)CCc2cc(CNC(CCC(C)(C)C)C(=O)O)ccc21
InChIInChI=1S/C19H28N2O3/c1-19(2,3)10-9-15(18(23)24)20-12-13-5-7-16-14(11-13)6-8-17(22)21(16)4/h5,7,11,15,20H,6,8-10,12H2,1-4H3,(H,23,24)
InChIKeyCYYWSLPEJUUERK-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.96
Rot. Bonds6

About 5,5-dimethyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]hexanoic acid

5,5-dimethyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]hexanoic acid (PubChem CID 174219538) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 5,5-dimethyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]hexanoic acid.

Molecular Properties

Compound Name5,5-dimethyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]hexanoic acid
PubChem CID174219538
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name5,5-dimethyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]hexanoic acid
SMILESCN1C(=O)CCc2cc(CNC(CCC(C)(C)C)C(=O)O)ccc21
InChIInChI=1S/C19H28N2O3/c1-19(2,3)10-9-15(18(23)24)20-12-13-5-7-16-14(11-13)6-8-17(22)21(16)4/h5,7,11,15,20H,6,8-10,12H2,1-4H3,(H,23,24)
InChIKeyCYYWSLPEJUUERK-UHFFFAOYSA-N
XLogP2.96
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5,5-dimethyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]hexanoic acid with MolForge

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Related Compounds

(2S)-5,5-dimethyl-2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)methylamino]hexanoic acid
CID 170973952
(2S)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5,5-dimethylhexanoic acid
CID 170974031
(2S)-5,5-dimethyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methylamino]hexanoic acid
CID 170974045
6-[[(2-hydroxy-2-methylpropyl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 82485649
3-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanoic acid
CID 82501036
2-methyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanenitrile
CID 115129291
3,3-dimethyl-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanoic acid
CID 63106686
6-(2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116928650
N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]butanamide
CID 110781637
4-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentanoic acid
CID 62095154
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid
CID 82116153
3-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanoic acid
CID 63106687

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]hexanoic acid?
The IUPAC name of 5,5-dimethyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]hexanoic acid (CID 174219538) is 5,5-dimethyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]hexanoic acid.
What is the SMILES notation for 5,5-dimethyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]hexanoic acid?
The canonical SMILES for 5,5-dimethyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]hexanoic acid is CN1C(=O)CCc2cc(CNC(CCC(C)(C)C)C(=O)O)ccc21.
What is the InChIKey of 5,5-dimethyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]hexanoic acid?
The InChIKey is CYYWSLPEJUUERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-19(2,3)10-9-15(18(23)24)20-12-13-5-7-16-14(11-13)6-8-17(22)21(16)4/h5,7,11,15,20H,6,8-10,12H2,1-4H3,(H,23,24).
What are the key properties of 5,5-dimethyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]hexanoic acid?
5,5-dimethyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]hexanoic acid has a molecular weight of 332.44 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]hexanoic acid is sourced from PubChem (CID 174219538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).