tert-butyl 3-(methoxycarbamoyl)-4-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]piperidine-1-carboxylate

C26H36N4O6 — CID 143875912

IUPACtert-butyl 3-(methoxycarbamoyl)-4-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]piperidine-1-carboxylate
SMILESCONC(=O)C1CN(C(=O)OC(C)(C)C)CCC1CCN1CCOc2cnc3ccc(OC)cc3c21
InChIInChI=1S/C26H36N4O6/c1-26(2,3)36-25(32)30-11-9-17(20(16-30)24(31)28-34-5)8-10-29-12-13-35-22-15-27-21-7-6-18(33-4)14-19(21)23(22)29/h6-7,14-15,17,20H,8-13,16H2,1-5H3,(H,28,31)
InChIKeyUIELRXKZRQHTJK-UHFFFAOYSA-N
MW500.60 g/mol
LogP3.38
Rot. Bonds6

About tert-butyl 3-(methoxycarbamoyl)-4-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]piperidine-1-carboxylate

tert-butyl 3-(methoxycarbamoyl)-4-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]piperidine-1-carboxylate (PubChem CID 143875912) has the molecular formula C26H36N4O6 and a molecular weight of 500.60 g/mol. Its IUPAC name is tert-butyl 3-(methoxycarbamoyl)-4-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(methoxycarbamoyl)-4-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]piperidine-1-carboxylate
PubChem CID143875912
Molecular FormulaC26H36N4O6
Molecular Weight500.60 g/mol
Exact Mass500.26
IUPAC Nametert-butyl 3-(methoxycarbamoyl)-4-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]piperidine-1-carboxylate
SMILESCONC(=O)C1CN(C(=O)OC(C)(C)C)CCC1CCN1CCOc2cnc3ccc(OC)cc3c21
InChIInChI=1S/C26H36N4O6/c1-26(2,3)36-25(32)30-11-9-17(20(16-30)24(31)28-34-5)8-10-29-12-13-35-22-15-27-21-7-6-18(33-4)14-19(21)23(22)29/h6-7,14-15,17,20H,8-13,16H2,1-5H3,(H,28,31)
InChIKeyUIELRXKZRQHTJK-UHFFFAOYSA-N
XLogP3.38
TPSA102.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-4-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 143875852
tert-butyl 4-[2-[(3-hydroxy-6-methoxyquinolin-4-yl)amino]ethyl]-3-(methylsulfonylcarbamoyl)piperidine-1-carboxylate
CID 70961020
tert-butyl (3R,4R)-3-ethenyl-4-[3-(3-fluoro-6-methoxyquinolin-4-yl)-3-oxopropyl]piperidine-1-carboxylate
CID 69345737
tert-butyl (3R,4R)-3-(2-hydroxyethyl)-4-[3-hydroxy-3-(6-methoxyquinolin-4-yl)propyl]piperidine-1-carboxylate
CID 69353248
9-methoxy-1-(piperidin-4-ylmethyl)-2,3-dihydro-[1,4]oxazino[2,3-c]quinoline
CID 143875698
tert-butyl (3R,4R)-3-[(1R)-1,2-dihydroxyethyl]-4-[3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]piperidine-1-carboxylate
CID 71052996
tert-butyl 3-[(6-methoxyquinolin-3-yl)-methylamino]pyrrolidine-1-carboxylate
CID 175300918
(3S)-5-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]-3-methyloct-1-en-2-ol;propylcyclohexane
CID 143875933
tert-butyl 4-[2-[(3-formyl-6-methoxyquinolin-4-yl)amino]ethyl]piperidine-1-carboxylate;methoxyethane
CID 143876016
tert-butyl (3R,4R)-3-formyl-4-[(3S)-3-hydroxy-3-(3-methoxyquinolin-5-yl)propyl]piperidine-1-carboxylate
CID 87498695
tert-butyl (3R,4R)-3-(2,2-dimethyl-1,3-dioxol-4-yl)-4-[3-(3-methoxyquinolin-5-yl)prop-2-enyl]piperidine-1-carboxylate
CID 141248515
tert-butyl 6-[(3-chloro-6-methoxyquinolin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 69470603

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(methoxycarbamoyl)-4-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(methoxycarbamoyl)-4-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]piperidine-1-carboxylate (CID 143875912) is tert-butyl 3-(methoxycarbamoyl)-4-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(methoxycarbamoyl)-4-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(methoxycarbamoyl)-4-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]piperidine-1-carboxylate is CONC(=O)C1CN(C(=O)OC(C)(C)C)CCC1CCN1CCOc2cnc3ccc(OC)cc3c21.
What is the InChIKey of tert-butyl 3-(methoxycarbamoyl)-4-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]piperidine-1-carboxylate?
The InChIKey is UIELRXKZRQHTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O6/c1-26(2,3)36-25(32)30-11-9-17(20(16-30)24(31)28-34-5)8-10-29-12-13-35-22-15-27-21-7-6-18(33-4)14-19(21)23(22)29/h6-7,14-15,17,20H,8-13,16H2,1-5H3,(H,28,31).
What are the key properties of tert-butyl 3-(methoxycarbamoyl)-4-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]piperidine-1-carboxylate?
tert-butyl 3-(methoxycarbamoyl)-4-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]piperidine-1-carboxylate has a molecular weight of 500.60 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(methoxycarbamoyl)-4-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 143875912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).