N-(9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-4-ethoxybenzamide

C24H30N2O4 — CID 12940225

IUPACN-(9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC2CCN3CCc4cc(OC)c(OC)cc4C3C2)cc1
InChIInChI=1S/C24H30N2O4/c1-4-30-19-7-5-16(6-8-19)24(27)25-18-10-12-26-11-9-17-13-22(28-2)23(29-3)15-20(17)21(26)14-18/h5-8,13,15,18,21H,4,9-12,14H2,1-3H3,(H,25,27)
InChIKeyYVHDAVYUMDCPIX-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.59
Rot. Bonds6

About N-(9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-4-ethoxybenzamide

N-(9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-4-ethoxybenzamide (PubChem CID 12940225) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is N-(9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-4-ethoxybenzamide.

Molecular Properties

Compound NameN-(9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-4-ethoxybenzamide
PubChem CID12940225
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC NameN-(9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC2CCN3CCc4cc(OC)c(OC)cc4C3C2)cc1
InChIInChI=1S/C24H30N2O4/c1-4-30-19-7-5-16(6-8-19)24(27)25-18-10-12-26-11-9-17-13-22(28-2)23(29-3)15-20(17)21(26)14-18/h5-8,13,15,18,21H,4,9-12,14H2,1-3H3,(H,25,27)
InChIKeyYVHDAVYUMDCPIX-UHFFFAOYSA-N
XLogP3.59
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-4-ethoxybenzamide with MolForge

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Related Compounds

N-[4-[(9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)amino]phenyl]-4-methoxybenzamide;hydrochloride
CID 23333708
[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-(4-ethoxyphenyl)methanone
CID 1306322
2-[2-(4-ethoxybenzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid
CID 45435265
4-ethoxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 108560402
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
(3,4-diethoxyphenyl)-[(1S)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 41048835
[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(4-ethoxyphenyl)methanone
CID 2348606
4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453188
[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-ethoxyphenyl)methanone
CID 5057081
[(2R,11bS)-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methanamine
CID 71112848
(2R,11bS)-9-methoxy-N-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine
CID 67567262
N-cyclohexyl-4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxamide
CID 3676198

Frequently Asked Questions

What is the IUPAC name of N-(9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-4-ethoxybenzamide?
The IUPAC name of N-(9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-4-ethoxybenzamide (CID 12940225) is N-(9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-4-ethoxybenzamide.
What is the SMILES notation for N-(9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-4-ethoxybenzamide?
The canonical SMILES for N-(9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-4-ethoxybenzamide is CCOc1ccc(C(=O)NC2CCN3CCc4cc(OC)c(OC)cc4C3C2)cc1.
What is the InChIKey of N-(9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-4-ethoxybenzamide?
The InChIKey is YVHDAVYUMDCPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-4-30-19-7-5-16(6-8-19)24(27)25-18-10-12-26-11-9-17-13-22(28-2)23(29-3)15-20(17)21(26)14-18/h5-8,13,15,18,21H,4,9-12,14H2,1-3H3,(H,25,27).
What are the key properties of N-(9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-4-ethoxybenzamide?
N-(9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-4-ethoxybenzamide has a molecular weight of 410.51 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-4-ethoxybenzamide is sourced from PubChem (CID 12940225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).