N-(1,3-benzodioxol-5-ylmethyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide

C20H22N2O5 — CID 91914298

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCCOc1cc(=O)n2c(c1C(=O)NCc1ccc3c(c1)OCO3)CCCC2
InChIInChI=1S/C20H22N2O5/c1-2-25-17-10-18(23)22-8-4-3-5-14(22)19(17)20(24)21-11-13-6-7-15-16(9-13)27-12-26-15/h6-7,9-10H,2-5,8,11-12H2,1H3,(H,21,24)
InChIKeyPSDOPAKCRSCUDQ-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.24
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (PubChem CID 91914298) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
PubChem CID91914298
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCCOc1cc(=O)n2c(c1C(=O)NCc1ccc3c(c1)OCO3)CCCC2
InChIInChI=1S/C20H22N2O5/c1-2-25-17-10-18(23)22-8-4-3-5-14(22)19(17)20(24)21-11-13-6-7-15-16(9-13)27-12-26-15/h6-7,9-10H,2-5,8,11-12H2,1H3,(H,21,24)
InChIKeyPSDOPAKCRSCUDQ-UHFFFAOYSA-N
XLogP2.24
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (CID 91914298) is N-(1,3-benzodioxol-5-ylmethyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is CCOc1cc(=O)n2c(c1C(=O)NCc1ccc3c(c1)OCO3)CCCC2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The InChIKey is PSDOPAKCRSCUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-2-25-17-10-18(23)22-8-4-3-5-14(22)19(17)20(24)21-11-13-6-7-15-16(9-13)27-12-26-15/h6-7,9-10H,2-5,8,11-12H2,1H3,(H,21,24).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is sourced from PubChem (CID 91914298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).