methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate

C11H11NO3 — CID 9451992

IUPACmethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C11H11NO3/c1-15-11(14)8-2-4-9-7(6-8)3-5-10(13)12-9/h2,4,6H,3,5H2,1H3,(H,12,13)
InChIKeyOKZGRHUCJRZYHT-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.36
Rot. Bonds1

About methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate

methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate (PubChem CID 9451992) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
PubChem CID9451992
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Namemethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C11H11NO3/c1-15-11(14)8-2-4-9-7(6-8)3-5-10(13)12-9/h2,4,6H,3,5H2,1H3,(H,12,13)
InChIKeyOKZGRHUCJRZYHT-UHFFFAOYSA-N
XLogP1.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-methyl-3-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-1H-pyrrole-2-carboxylate
CID 167934437
N-(2-methoxyethoxy)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103728105
dimethyl 5-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]benzene-1,3-dicarboxylate
CID 108784566
methyl 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-8-carboxylate
CID 115098811
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3,4-dimethoxybenzoate
CID 51329778
6-(2-amino-2-methylpropanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915356
2-oxo-N-(2,2,3,3-tetramethylcyclopropyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103726730
(4-fluorophenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101048
methyl 2-methoxy-5-[[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]methyl]benzoate
CID 18113019
methyl 2,3-dihydroxy-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate
CID 171864842
2-(4-ethoxyphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 17483624
3-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid
CID 102710812

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The IUPAC name of methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate (CID 9451992) is methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate.
What is the SMILES notation for methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The canonical SMILES for methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate is COC(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The InChIKey is OKZGRHUCJRZYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-15-11(14)8-2-4-9-7(6-8)3-5-10(13)12-9/h2,4,6H,3,5H2,1H3,(H,12,13).
What are the key properties of methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate has a molecular weight of 205.21 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate is sourced from PubChem (CID 9451992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).