[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate

C17H20N2O5 — CID 18130814

IUPAC[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
SMILESCC1CN(C(=O)COC(=O)c2ccc3c(c2)CCC(=O)N3)CCO1
InChIInChI=1S/C17H20N2O5/c1-11-9-19(6-7-23-11)16(21)10-24-17(22)13-2-4-14-12(8-13)3-5-15(20)18-14/h2,4,8,11H,3,5-7,9-10H2,1H3,(H,18,20)
InChIKeyKZCBPKSDUQNSDH-UHFFFAOYSA-N
MW332.36 g/mol
LogP0.98
Rot. Bonds3

About [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate

[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate (PubChem CID 18130814) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate.

Molecular Properties

Compound Name[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
PubChem CID18130814
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
SMILESCC1CN(C(=O)COC(=O)c2ccc3c(c2)CCC(=O)N3)CCO1
InChIInChI=1S/C17H20N2O5/c1-11-9-19(6-7-23-11)16(21)10-24-17(22)13-2-4-14-12(8-13)3-5-15(20)18-14/h2,4,8,11H,3,5-7,9-10H2,1H3,(H,18,20)
InChIKeyKZCBPKSDUQNSDH-UHFFFAOYSA-N
XLogP0.98
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-morpholin-4-yl-2-oxoethyl) 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101051
6-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 94014711
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55998394
6-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 86911989
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101061
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
6-(3-methylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 119577687
6-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 103806132
7-amino-6-(2-methylmorpholin-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 43449729
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2580378
6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 110800015
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate
CID 46810430

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The IUPAC name of [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate (CID 18130814) is [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate.
What is the SMILES notation for [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The canonical SMILES for [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate is CC1CN(C(=O)COC(=O)c2ccc3c(c2)CCC(=O)N3)CCO1.
What is the InChIKey of [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The InChIKey is KZCBPKSDUQNSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-11-9-19(6-7-23-11)16(21)10-24-17(22)13-2-4-14-12(8-13)3-5-15(20)18-14/h2,4,8,11H,3,5-7,9-10H2,1H3,(H,18,20).
What are the key properties of [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate has a molecular weight of 332.36 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate is sourced from PubChem (CID 18130814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).