methyl 2-methyl-3-[methyl(quinoline-8-carbonyl)amino]propanoate

C16H18N2O3 — CID 47981172

IUPACmethyl 2-methyl-3-[methyl(quinoline-8-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)C(=O)c1cccc2cccnc12
InChIInChI=1S/C16H18N2O3/c1-11(16(20)21-3)10-18(2)15(19)13-8-4-6-12-7-5-9-17-14(12)13/h4-9,11H,10H2,1-3H3
InChIKeyULDONOXXVUQKNY-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.12
Rot. Bonds4

About methyl 2-methyl-3-[methyl(quinoline-8-carbonyl)amino]propanoate

methyl 2-methyl-3-[methyl(quinoline-8-carbonyl)amino]propanoate (PubChem CID 47981172) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl(quinoline-8-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl(quinoline-8-carbonyl)amino]propanoate
PubChem CID47981172
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Namemethyl 2-methyl-3-[methyl(quinoline-8-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)C(=O)c1cccc2cccnc12
InChIInChI=1S/C16H18N2O3/c1-11(16(20)21-3)10-18(2)15(19)13-8-4-6-12-7-5-9-17-14(12)13/h4-9,11H,10H2,1-3H3
InChIKeyULDONOXXVUQKNY-UHFFFAOYSA-N
XLogP2.12
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(2-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoate
CID 61051558
N-(2-cyanopropyl)-N-methylquinoline-8-carboxamide
CID 47414728
N-(3-hydroxybutyl)-N-methylquinoline-8-carboxamide
CID 115673293
methyl 3-[(3-bromopyridine-2-carbonyl)-methylamino]-2-methylpropanoate
CID 107518636
N-(2-bromoethyl)-N-methylquinoline-8-carboxamide
CID 80659623
methyl 3-[(2-fluorobenzoyl)-methylamino]-2-methylpropanoate
CID 61052680
methyl 3-[(2-chloro-3-fluorobenzoyl)-methylamino]-2-methylpropanoate
CID 79035725
methyl 3-[(2,6-dichlorobenzoyl)-methylamino]-2-methylpropanoate
CID 55008393
N-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-8-carboxamide
CID 76951123
N-methyl-N-(pyridin-3-ylmethyl)quinoline-8-carboxamide
CID 39948382
N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methylquinoline-8-carboxamide
CID 96567455
N-[1-(2-chlorophenyl)ethyl]-N-methylquinoline-8-carboxamide
CID 86882760

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl(quinoline-8-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl(quinoline-8-carbonyl)amino]propanoate (CID 47981172) is methyl 2-methyl-3-[methyl(quinoline-8-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl(quinoline-8-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl(quinoline-8-carbonyl)amino]propanoate is COC(=O)C(C)CN(C)C(=O)c1cccc2cccnc12.
What is the InChIKey of methyl 2-methyl-3-[methyl(quinoline-8-carbonyl)amino]propanoate?
The InChIKey is ULDONOXXVUQKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11(16(20)21-3)10-18(2)15(19)13-8-4-6-12-7-5-9-17-14(12)13/h4-9,11H,10H2,1-3H3.
What are the key properties of methyl 2-methyl-3-[methyl(quinoline-8-carbonyl)amino]propanoate?
methyl 2-methyl-3-[methyl(quinoline-8-carbonyl)amino]propanoate has a molecular weight of 286.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl(quinoline-8-carbonyl)amino]propanoate is sourced from PubChem (CID 47981172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).