methyl (2S)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-2-carboxylate

C18H20N2O5 — CID 95221558

IUPACmethyl (2S)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCCN1Cc1cc2cc3c(cc2[nH]c1=O)OCO3
InChIInChI=1S/C18H20N2O5/c1-23-18(22)14-4-2-3-5-20(14)9-12-6-11-7-15-16(25-10-24-15)8-13(11)19-17(12)21/h6-8,14H,2-5,9-10H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyWBOWPVSRPVAAOB-AWEZNQCLSA-N
MW344.37 g/mol
LogP1.78
Rot. Bonds3

About methyl (2S)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-2-carboxylate

methyl (2S)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-2-carboxylate (PubChem CID 95221558) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is methyl (2S)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-2-carboxylate
PubChem CID95221558
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Namemethyl (2S)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCCN1Cc1cc2cc3c(cc2[nH]c1=O)OCO3
InChIInChI=1S/C18H20N2O5/c1-23-18(22)14-4-2-3-5-20(14)9-12-6-11-7-15-16(25-10-24-15)8-13(11)19-17(12)21/h6-8,14H,2-5,9-10H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyWBOWPVSRPVAAOB-AWEZNQCLSA-N
XLogP1.78
TPSA80.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (2S)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-2-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

methyl (2S)-1-[(2-methoxynaphtho[1,2-f][1,3]benzodioxol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 86625136
1-methyl-N-[[1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide
CID 131919858
2-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid
CID 82048474
methyl (2S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-2-carboxylate
CID 97066427
methyl (2S)-1-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]piperidine-2-carboxylate
CID 34923696
methyl (2R)-1-[(2-bromophenyl)methyl]piperidine-2-carboxylate
CID 79833485
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
methyl 4-[cyclopentyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]sulfamoyl]benzoate
CID 1165573
1-cyclohexyl-3-(2-methoxyethyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]thiourea
CID 3175702
methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 113219904
1-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-fluorophenyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea
CID 3195061
methyl (2R)-1-[(3-chloro-4-pyridinyl)methyl]piperidine-2-carboxylate
CID 79833064

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-2-carboxylate (CID 95221558) is methyl (2S)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-2-carboxylate is COC(=O)[C@@H]1CCCCN1Cc1cc2cc3c(cc2[nH]c1=O)OCO3.
What is the InChIKey of methyl (2S)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-2-carboxylate?
The InChIKey is WBOWPVSRPVAAOB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-23-18(22)14-4-2-3-5-20(14)9-12-6-11-7-15-16(25-10-24-15)8-13(11)19-17(12)21/h6-8,14H,2-5,9-10H2,1H3,(H,19,21)/t14-/m0/s1.
What are the key properties of methyl (2S)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-2-carboxylate?
methyl (2S)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-2-carboxylate has a molecular weight of 344.37 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 95221558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).