methyl (2R)-2-[(2,6-dimethylquinoline-3-carbonyl)amino]-2-methylpentanoate

C19H24N2O3 — CID 51935103

IUPACmethyl (2R)-2-[(2,6-dimethylquinoline-3-carbonyl)amino]-2-methylpentanoate
SMILESCCC[C@@](C)(NC(=O)c1cc2cc(C)ccc2nc1C)C(=O)OC
InChIInChI=1S/C19H24N2O3/c1-6-9-19(4,18(23)24-5)21-17(22)15-11-14-10-12(2)7-8-16(14)20-13(15)3/h7-8,10-11H,6,9H2,1-5H3,(H,21,22)/t19-/m1/s1
InChIKeyHKQJZTUHFXKXEN-LJQANCHMSA-N
MW328.41 g/mol
LogP3.31
Rot. Bonds5

About methyl (2R)-2-[(2,6-dimethylquinoline-3-carbonyl)amino]-2-methylpentanoate

methyl (2R)-2-[(2,6-dimethylquinoline-3-carbonyl)amino]-2-methylpentanoate (PubChem CID 51935103) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is methyl (2R)-2-[(2,6-dimethylquinoline-3-carbonyl)amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2,6-dimethylquinoline-3-carbonyl)amino]-2-methylpentanoate
PubChem CID51935103
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Namemethyl (2R)-2-[(2,6-dimethylquinoline-3-carbonyl)amino]-2-methylpentanoate
SMILESCCC[C@@](C)(NC(=O)c1cc2cc(C)ccc2nc1C)C(=O)OC
InChIInChI=1S/C19H24N2O3/c1-6-9-19(4,18(23)24-5)21-17(22)15-11-14-10-12(2)7-8-16(14)20-13(15)3/h7-8,10-11H,6,9H2,1-5H3,(H,21,22)/t19-/m1/s1
InChIKeyHKQJZTUHFXKXEN-LJQANCHMSA-N
XLogP3.31
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2,6-dimethylquinoline-3-carboxamide
CID 47130649
methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-2-methylpentanoate
CID 115745717
methyl 2-methyl-2-[(6-methyl-1H-indole-2-carbonyl)amino]pentanoate
CID 60581935
methyl 2-[(3-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoate
CID 82830810
methyl (2S)-2-benzamido-2-methylpentanoate
CID 141268711
methyl 2-methyl-2-[(2-methyl-5-nitrobenzoyl)amino]pentanoate
CID 60565492
N-(4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 34742642
methyl 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoate
CID 43423938
methyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylpentanoate
CID 112822198
methyl 2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]pentanoate
CID 79769737
methyl 2-[(2-iodo-3-methylbenzoyl)amino]-2-methylpentanoate
CID 47350798
methyl 2-methyl-2-(pyridine-4-carbonylamino)pentanoate
CID 43431377

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2,6-dimethylquinoline-3-carbonyl)amino]-2-methylpentanoate?
The IUPAC name of methyl (2R)-2-[(2,6-dimethylquinoline-3-carbonyl)amino]-2-methylpentanoate (CID 51935103) is methyl (2R)-2-[(2,6-dimethylquinoline-3-carbonyl)amino]-2-methylpentanoate.
What is the SMILES notation for methyl (2R)-2-[(2,6-dimethylquinoline-3-carbonyl)amino]-2-methylpentanoate?
The canonical SMILES for methyl (2R)-2-[(2,6-dimethylquinoline-3-carbonyl)amino]-2-methylpentanoate is CCC[C@@](C)(NC(=O)c1cc2cc(C)ccc2nc1C)C(=O)OC.
What is the InChIKey of methyl (2R)-2-[(2,6-dimethylquinoline-3-carbonyl)amino]-2-methylpentanoate?
The InChIKey is HKQJZTUHFXKXEN-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-6-9-19(4,18(23)24-5)21-17(22)15-11-14-10-12(2)7-8-16(14)20-13(15)3/h7-8,10-11H,6,9H2,1-5H3,(H,21,22)/t19-/m1/s1.
What are the key properties of methyl (2R)-2-[(2,6-dimethylquinoline-3-carbonyl)amino]-2-methylpentanoate?
methyl (2R)-2-[(2,6-dimethylquinoline-3-carbonyl)amino]-2-methylpentanoate has a molecular weight of 328.41 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2,6-dimethylquinoline-3-carbonyl)amino]-2-methylpentanoate is sourced from PubChem (CID 51935103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).