methyl 2-(methoxycarbonylamino)-4-oxo-1H-quinoline-3-carboxylate

C13H12N2O5 — CID 11323355

IUPACmethyl 2-(methoxycarbonylamino)-4-oxo-1H-quinoline-3-carboxylate
SMILESCOC(=O)Nc1[nH]c2ccccc2c(=O)c1C(=O)OC
InChIInChI=1S/C13H12N2O5/c1-19-12(17)9-10(16)7-5-3-4-6-8(7)14-11(9)15-13(18)20-2/h3-6H,1-2H3,(H2,14,15,16,18)
InChIKeyONQAPHWYMGAFMO-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.49
Rot. Bonds2

About methyl 2-(methoxycarbonylamino)-4-oxo-1H-quinoline-3-carboxylate

methyl 2-(methoxycarbonylamino)-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 11323355) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is methyl 2-(methoxycarbonylamino)-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(methoxycarbonylamino)-4-oxo-1H-quinoline-3-carboxylate
PubChem CID11323355
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC Namemethyl 2-(methoxycarbonylamino)-4-oxo-1H-quinoline-3-carboxylate
SMILESCOC(=O)Nc1[nH]c2ccccc2c(=O)c1C(=O)OC
InChIInChI=1S/C13H12N2O5/c1-19-12(17)9-10(16)7-5-3-4-6-8(7)14-11(9)15-13(18)20-2/h3-6H,1-2H3,(H2,14,15,16,18)
InChIKeyONQAPHWYMGAFMO-UHFFFAOYSA-N
XLogP1.49
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-oxo-2-(1H-pyrrol-2-yl)-1H-quinoline-3-carboxylate
CID 71495071
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
methyl 2-benzylsulfanyl-4-oxo-1H-quinoline-3-carboxylate
CID 20937719
methyl 2-methylsulfanyl-1H-indole-3-carboxylate
CID 11481434
methyl 2-[2-(4-methoxycarbonylanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate
CID 20937709
dimethyl anthracene-9,10-dicarboxylate
CID 139057809
methyl 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate
CID 22424267
methyl 2-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate
CID 20937761
methyl 2-thiophen-3-yl-1H-indole-3-carboxylate
CID 57412548
ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate
CID 3022167
methyl 2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate
CID 20937691
methyl 2,5-dioxo-10H-pyrano[2,3-b]quinoline-3-carboxylate
CID 23740281

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methoxycarbonylamino)-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of methyl 2-(methoxycarbonylamino)-4-oxo-1H-quinoline-3-carboxylate (CID 11323355) is methyl 2-(methoxycarbonylamino)-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for methyl 2-(methoxycarbonylamino)-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for methyl 2-(methoxycarbonylamino)-4-oxo-1H-quinoline-3-carboxylate is COC(=O)Nc1[nH]c2ccccc2c(=O)c1C(=O)OC.
What is the InChIKey of methyl 2-(methoxycarbonylamino)-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is ONQAPHWYMGAFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5/c1-19-12(17)9-10(16)7-5-3-4-6-8(7)14-11(9)15-13(18)20-2/h3-6H,1-2H3,(H2,14,15,16,18).
What are the key properties of methyl 2-(methoxycarbonylamino)-4-oxo-1H-quinoline-3-carboxylate?
methyl 2-(methoxycarbonylamino)-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 276.25 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methoxycarbonylamino)-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 11323355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).