methyl 2-[(4-hydroxy-1,6-dimethyl-2-oxoquinoline-3-carbonyl)amino]acetate

C15H16N2O5 — CID 143487152

IUPACmethyl 2-[(4-hydroxy-1,6-dimethyl-2-oxoquinoline-3-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1c(O)c2cc(C)ccc2n(C)c1=O
InChIInChI=1S/C15H16N2O5/c1-8-4-5-10-9(6-8)13(19)12(15(21)17(10)2)14(20)16-7-11(18)22-3/h4-6,19H,7H2,1-3H3,(H,16,20)
InChIKeyDFOCNAKUQQFSMM-UHFFFAOYSA-N
MW304.30 g/mol
LogP0.46
Rot. Bonds3

About methyl 2-[(4-hydroxy-1,6-dimethyl-2-oxoquinoline-3-carbonyl)amino]acetate

methyl 2-[(4-hydroxy-1,6-dimethyl-2-oxoquinoline-3-carbonyl)amino]acetate (PubChem CID 143487152) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is methyl 2-[(4-hydroxy-1,6-dimethyl-2-oxoquinoline-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-hydroxy-1,6-dimethyl-2-oxoquinoline-3-carbonyl)amino]acetate
PubChem CID143487152
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Namemethyl 2-[(4-hydroxy-1,6-dimethyl-2-oxoquinoline-3-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1c(O)c2cc(C)ccc2n(C)c1=O
InChIInChI=1S/C15H16N2O5/c1-8-4-5-10-9(6-8)13(19)12(15(21)17(10)2)14(20)16-7-11(18)22-3/h4-6,19H,7H2,1-3H3,(H,16,20)
InChIKeyDFOCNAKUQQFSMM-UHFFFAOYSA-N
XLogP0.46
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(4-hydroxy-1,6-dimethyl-2-oxoquinoline-3-carbonyl)amino]acetate with MolForge

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Launch Full Analysis

Related Compounds

2-[(6-cyano-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid
CID 59340046
3-(2,2-dichloroacetyl)-4-hydroxy-1,6-dimethylquinolin-2-one
CID 110273245
2-[[6-(benzhydrylcarbamoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 118934623
butyl 2-[(7-bromo-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetate
CID 86643521
2-[(4-hydroxy-1-methyl-2-oxo-7-phenylquinoline-3-carbonyl)amino]acetic acid
CID 54681700
4-hydroxy-N-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxamide
CID 57245363
2-[[4-hydroxy-1-methyl-7-(2-methylphenyl)-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 59340054
methyl 2-[(1-but-2-ynoxy-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]acetate
CID 90269438
6-(dimethylamino)-1-methyl-3-[(3-methylphenyl)methyl]quinazoline-2,4-dione;methyl 2-[(2,6-difluorobenzoyl)amino]acetate
CID 177030288
methyl 2-[(2,6-dihydroxybenzoyl)amino]acetate
CID 103890198
2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-3-ylquinoline-3-carbonyl)amino]acetic acid
CID 59340126
methyl 4-(1,2,5-trimethylindol-3-yl)butanoate
CID 170946702

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-hydroxy-1,6-dimethyl-2-oxoquinoline-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(4-hydroxy-1,6-dimethyl-2-oxoquinoline-3-carbonyl)amino]acetate (CID 143487152) is methyl 2-[(4-hydroxy-1,6-dimethyl-2-oxoquinoline-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(4-hydroxy-1,6-dimethyl-2-oxoquinoline-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(4-hydroxy-1,6-dimethyl-2-oxoquinoline-3-carbonyl)amino]acetate is COC(=O)CNC(=O)c1c(O)c2cc(C)ccc2n(C)c1=O.
What is the InChIKey of methyl 2-[(4-hydroxy-1,6-dimethyl-2-oxoquinoline-3-carbonyl)amino]acetate?
The InChIKey is DFOCNAKUQQFSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-8-4-5-10-9(6-8)13(19)12(15(21)17(10)2)14(20)16-7-11(18)22-3/h4-6,19H,7H2,1-3H3,(H,16,20).
What are the key properties of methyl 2-[(4-hydroxy-1,6-dimethyl-2-oxoquinoline-3-carbonyl)amino]acetate?
methyl 2-[(4-hydroxy-1,6-dimethyl-2-oxoquinoline-3-carbonyl)amino]acetate has a molecular weight of 304.30 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-hydroxy-1,6-dimethyl-2-oxoquinoline-3-carbonyl)amino]acetate is sourced from PubChem (CID 143487152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).