methyl 6-(methylamino)-2-oxo-3,4-dihydroquinoline-1-carboxylate

C12H14N2O3 — CID 115190471

IUPACmethyl 6-(methylamino)-2-oxo-3,4-dihydroquinoline-1-carboxylate
SMILESCNc1ccc2c(c1)CCC(=O)N2C(=O)OC
InChIInChI=1S/C12H14N2O3/c1-13-9-4-5-10-8(7-9)3-6-11(15)14(10)12(16)17-2/h4-5,7,13H,3,6H2,1-2H3
InChIKeyUBMZAIZNPWEMHA-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.77
Rot. Bonds1

About methyl 6-(methylamino)-2-oxo-3,4-dihydroquinoline-1-carboxylate

methyl 6-(methylamino)-2-oxo-3,4-dihydroquinoline-1-carboxylate (PubChem CID 115190471) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is methyl 6-(methylamino)-2-oxo-3,4-dihydroquinoline-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-(methylamino)-2-oxo-3,4-dihydroquinoline-1-carboxylate
PubChem CID115190471
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Namemethyl 6-(methylamino)-2-oxo-3,4-dihydroquinoline-1-carboxylate
SMILESCNc1ccc2c(c1)CCC(=O)N2C(=O)OC
InChIInChI=1S/C12H14N2O3/c1-13-9-4-5-10-8(7-9)3-6-11(15)14(10)12(16)17-2/h4-5,7,13H,3,6H2,1-2H3
InChIKeyUBMZAIZNPWEMHA-UHFFFAOYSA-N
XLogP1.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(methylamino)-1-[3-(methylamino)propanoyl]-3,4-dihydroquinolin-2-one
CID 115153207
methyl 6-(aminomethyl)-2-oxo-3,4-dihydroquinoline-1-carboxylate
CID 115190559
methyl 6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carboxylate
CID 115190786
methyl 6-(methylamino)-3-oxo-1,4-benzoxazine-4-carboxylate
CID 115190502
6-(methylamino)-1-(3-oxobutyl)-3,4-dihydroquinolin-2-one
CID 115235513
5-(methylamino)-2-oxo-3H-indole-1-carbonyl cyanide
CID 115172000
4-[6-(methylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3-oxobutanenitrile
CID 117038333
tert-butyl 6-amino-2-oxo-3,4-dihydroquinoline-1-carboxylate
CID 91825826
1-(2-amino-2-methylpropyl)-6-(methylamino)-3,4-dihydroquinolin-2-one
CID 115135758
6-(methylamino)-1-(3-sulfanylpropyl)-3,4-dihydroquinolin-2-one
CID 115224728
1-(4-aminobutanoyl)-5-(methylamino)-3H-indol-2-one
CID 115155191
6-(methylaminomethyl)-2-oxo-3,4-dihydroquinoline-1-carboxylic acid
CID 115170974

Frequently Asked Questions

What is the IUPAC name of methyl 6-(methylamino)-2-oxo-3,4-dihydroquinoline-1-carboxylate?
The IUPAC name of methyl 6-(methylamino)-2-oxo-3,4-dihydroquinoline-1-carboxylate (CID 115190471) is methyl 6-(methylamino)-2-oxo-3,4-dihydroquinoline-1-carboxylate.
What is the SMILES notation for methyl 6-(methylamino)-2-oxo-3,4-dihydroquinoline-1-carboxylate?
The canonical SMILES for methyl 6-(methylamino)-2-oxo-3,4-dihydroquinoline-1-carboxylate is CNc1ccc2c(c1)CCC(=O)N2C(=O)OC.
What is the InChIKey of methyl 6-(methylamino)-2-oxo-3,4-dihydroquinoline-1-carboxylate?
The InChIKey is UBMZAIZNPWEMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-13-9-4-5-10-8(7-9)3-6-11(15)14(10)12(16)17-2/h4-5,7,13H,3,6H2,1-2H3.
What are the key properties of methyl 6-(methylamino)-2-oxo-3,4-dihydroquinoline-1-carboxylate?
methyl 6-(methylamino)-2-oxo-3,4-dihydroquinoline-1-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(methylamino)-2-oxo-3,4-dihydroquinoline-1-carboxylate is sourced from PubChem (CID 115190471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).