methyl 2-[(4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate

C16H18N2O6 — CID 67387665

IUPACmethyl 2-[(4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1c(O)c2c(OC)cccc2n(C)c1=O
InChIInChI=1S/C16H18N2O6/c1-8(16(22)24-4)17-14(20)12-13(19)11-9(18(2)15(12)21)6-5-7-10(11)23-3/h5-8,19H,1-4H3,(H,17,20)
InChIKeySASXYNSGTLXFOG-UHFFFAOYSA-N
MW334.33 g/mol
LogP0.54
Rot. Bonds4

About methyl 2-[(4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate

methyl 2-[(4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate (PubChem CID 67387665) has the molecular formula C16H18N2O6 and a molecular weight of 334.33 g/mol. Its IUPAC name is methyl 2-[(4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate
PubChem CID67387665
Molecular FormulaC16H18N2O6
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC Namemethyl 2-[(4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1c(O)c2c(OC)cccc2n(C)c1=O
InChIInChI=1S/C16H18N2O6/c1-8(16(22)24-4)17-14(20)12-13(19)11-9(18(2)15(12)21)6-5-7-10(11)23-3/h5-8,19H,1-4H3,(H,17,20)
InChIKeySASXYNSGTLXFOG-UHFFFAOYSA-N
XLogP0.54
TPSA106.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate with MolForge

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Related Compounds

methyl (2S)-2-[(7-fluoro-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate
CID 54712188
2-[(4-hydroxy-8-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid
CID 67388041
N-ethyl-4-hydroxy-5-methoxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54684693
N-(2,5-difluorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide
CID 54682588
(2S)-2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid
CID 54681675
4-hydroxy-5-methoxy-N,1-dimethyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 54676573
N-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carboxamide
CID 54732868
N-(2,4-difluorophenyl)-N-ethyl-4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carboxamide
CID 70122366
2-amino-6-methoxy-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 81420995
methyl 2-[(1-methylindole-2-carbonyl)amino]propanoate
CID 56737895
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-3-methoxybenzamide
CID 171385160
methyl (2R)-2-[(3-carbamoylbenzoyl)amino]propanoate
CID 113257904

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-[(4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate (CID 67387665) is methyl 2-[(4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-[(4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate is COC(=O)C(C)NC(=O)c1c(O)c2c(OC)cccc2n(C)c1=O.
What is the InChIKey of methyl 2-[(4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate?
The InChIKey is SASXYNSGTLXFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6/c1-8(16(22)24-4)17-14(20)12-13(19)11-9(18(2)15(12)21)6-5-7-10(11)23-3/h5-8,19H,1-4H3,(H,17,20).
What are the key properties of methyl 2-[(4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate?
methyl 2-[(4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate has a molecular weight of 334.33 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate is sourced from PubChem (CID 67387665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).