methyl 2-hydroxy-3-[(2-methylquinoline-4-carbonyl)amino]propanoate

C15H16N2O4 — CID 103879325

IUPACmethyl 2-hydroxy-3-[(2-methylquinoline-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C15H16N2O4/c1-9-7-11(10-5-3-4-6-12(10)17-9)14(19)16-8-13(18)15(20)21-2/h3-7,13,18H,8H2,1-2H3,(H,16,19)
InChIKeyKWWNVBUPVYNRHO-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.81
Rot. Bonds4

About methyl 2-hydroxy-3-[(2-methylquinoline-4-carbonyl)amino]propanoate

methyl 2-hydroxy-3-[(2-methylquinoline-4-carbonyl)amino]propanoate (PubChem CID 103879325) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[(2-methylquinoline-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[(2-methylquinoline-4-carbonyl)amino]propanoate
PubChem CID103879325
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Namemethyl 2-hydroxy-3-[(2-methylquinoline-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C15H16N2O4/c1-9-7-11(10-5-3-4-6-12(10)17-9)14(19)16-8-13(18)15(20)21-2/h3-7,13,18H,8H2,1-2H3,(H,16,19)
InChIKeyKWWNVBUPVYNRHO-UHFFFAOYSA-N
XLogP0.81
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-iodo-3-[(2-methylquinoline-4-carbonyl)amino]propanoate
CID 103493219
N-[(2R,4S)-4-hydroxy-2-methylpentyl]-2-methylquinoline-4-carboxamide
CID 95775157
(2S)-2-hydroxy-4-[(2-methylquinoline-4-carbonyl)amino]butanoic acid
CID 107834591
N-(cyanomethyl)-2-methylquinoline-4-carboxamide
CID 51890088
N-(2-cyanopropyl)-2-methylquinoline-4-carboxamide
CID 55101906
N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 7959679
methyl N-[[4-[[(2-methylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate
CID 18729746
N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 51162734
2-methoxy-1-(2-methylquinolin-4-yl)ethanone
CID 105115074
N-(3-amino-2,2-difluoropropyl)-2-methylquinoline-4-carboxamide
CID 114383383
methyl 2-hydroxy-3-[(2-hydroxybenzoyl)amino]propanoate
CID 113344182

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[(2-methylquinoline-4-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-hydroxy-3-[(2-methylquinoline-4-carbonyl)amino]propanoate (CID 103879325) is methyl 2-hydroxy-3-[(2-methylquinoline-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-[(2-methylquinoline-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-hydroxy-3-[(2-methylquinoline-4-carbonyl)amino]propanoate is COC(=O)C(O)CNC(=O)c1cc(C)nc2ccccc12.
What is the InChIKey of methyl 2-hydroxy-3-[(2-methylquinoline-4-carbonyl)amino]propanoate?
The InChIKey is KWWNVBUPVYNRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9-7-11(10-5-3-4-6-12(10)17-9)14(19)16-8-13(18)15(20)21-2/h3-7,13,18H,8H2,1-2H3,(H,16,19).
What are the key properties of methyl 2-hydroxy-3-[(2-methylquinoline-4-carbonyl)amino]propanoate?
methyl 2-hydroxy-3-[(2-methylquinoline-4-carbonyl)amino]propanoate has a molecular weight of 288.30 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[(2-methylquinoline-4-carbonyl)amino]propanoate is sourced from PubChem (CID 103879325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).