methyl N-(6a,7,8,9,10,12-hexahydro-6H-quinolino[2,3-b]quinolizin-13-yl)-N-methylcarbamate

C19H23N3O2 — CID 10734849

IUPACmethyl N-(6a,7,8,9,10,12-hexahydro-6H-quinolino[2,3-b]quinolizin-13-yl)-N-methylcarbamate
SMILESCOC(=O)N(C)c1c2c(nc3ccccc13)CC1CCCCN1C2
InChIInChI=1S/C19H23N3O2/c1-21(19(23)24-2)18-14-8-3-4-9-16(14)20-17-11-13-7-5-6-10-22(13)12-15(17)18/h3-4,8-9,13H,5-7,10-12H2,1-2H3
InChIKeyDEHGHRHWODHFQW-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.35
Rot. Bonds1

About methyl N-(6a,7,8,9,10,12-hexahydro-6H-quinolino[2,3-b]quinolizin-13-yl)-N-methylcarbamate

methyl N-(6a,7,8,9,10,12-hexahydro-6H-quinolino[2,3-b]quinolizin-13-yl)-N-methylcarbamate (PubChem CID 10734849) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is methyl N-(6a,7,8,9,10,12-hexahydro-6H-quinolino[2,3-b]quinolizin-13-yl)-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-(6a,7,8,9,10,12-hexahydro-6H-quinolino[2,3-b]quinolizin-13-yl)-N-methylcarbamate
PubChem CID10734849
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Namemethyl N-(6a,7,8,9,10,12-hexahydro-6H-quinolino[2,3-b]quinolizin-13-yl)-N-methylcarbamate
SMILESCOC(=O)N(C)c1c2c(nc3ccccc13)CC1CCCCN1C2
InChIInChI=1S/C19H23N3O2/c1-21(19(23)24-2)18-14-8-3-4-9-16(14)20-17-11-13-7-5-6-10-22(13)12-15(17)18/h3-4,8-9,13H,5-7,10-12H2,1-2H3
InChIKeyDEHGHRHWODHFQW-UHFFFAOYSA-N
XLogP3.35
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl N-(6a,7,8,9,10,12-hexahydro-6H-quinolino[2,3-b]quinolizin-13-yl)-N-methylcarbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-(6a,7,8,9,10,12-hexahydro-6H-quinolino[2,3-b]quinolizin-13-yl)-N-methylcarbamate?
The IUPAC name of methyl N-(6a,7,8,9,10,12-hexahydro-6H-quinolino[2,3-b]quinolizin-13-yl)-N-methylcarbamate (CID 10734849) is methyl N-(6a,7,8,9,10,12-hexahydro-6H-quinolino[2,3-b]quinolizin-13-yl)-N-methylcarbamate.
What is the SMILES notation for methyl N-(6a,7,8,9,10,12-hexahydro-6H-quinolino[2,3-b]quinolizin-13-yl)-N-methylcarbamate?
The canonical SMILES for methyl N-(6a,7,8,9,10,12-hexahydro-6H-quinolino[2,3-b]quinolizin-13-yl)-N-methylcarbamate is COC(=O)N(C)c1c2c(nc3ccccc13)CC1CCCCN1C2.
What is the InChIKey of methyl N-(6a,7,8,9,10,12-hexahydro-6H-quinolino[2,3-b]quinolizin-13-yl)-N-methylcarbamate?
The InChIKey is DEHGHRHWODHFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-21(19(23)24-2)18-14-8-3-4-9-16(14)20-17-11-13-7-5-6-10-22(13)12-15(17)18/h3-4,8-9,13H,5-7,10-12H2,1-2H3.
What are the key properties of methyl N-(6a,7,8,9,10,12-hexahydro-6H-quinolino[2,3-b]quinolizin-13-yl)-N-methylcarbamate?
methyl N-(6a,7,8,9,10,12-hexahydro-6H-quinolino[2,3-b]quinolizin-13-yl)-N-methylcarbamate has a molecular weight of 325.41 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(6a,7,8,9,10,12-hexahydro-6H-quinolino[2,3-b]quinolizin-13-yl)-N-methylcarbamate is sourced from PubChem (CID 10734849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).