N-(4-methoxyphenyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine-5-carboxamide

C21H24N2O2 — CID 46130733

IUPACN-(4-methoxyphenyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine-5-carboxamide
SMILESCOc1ccc(NC(=O)C2Cc3ccccc3N3CCCCC23)cc1
InChIInChI=1S/C21H24N2O2/c1-25-17-11-9-16(10-12-17)22-21(24)18-14-15-6-2-3-7-19(15)23-13-5-4-8-20(18)23/h2-3,6-7,9-12,18,20H,4-5,8,13-14H2,1H3,(H,22,24)
InChIKeyGVBVNDQZFPXFLZ-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.87
Rot. Bonds3

About N-(4-methoxyphenyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine-5-carboxamide

N-(4-methoxyphenyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine-5-carboxamide (PubChem CID 46130733) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine-5-carboxamide
PubChem CID46130733
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-(4-methoxyphenyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine-5-carboxamide
SMILESCOc1ccc(NC(=O)C2Cc3ccccc3N3CCCCC23)cc1
InChIInChI=1S/C21H24N2O2/c1-25-17-11-9-16(10-12-17)22-21(24)18-14-15-6-2-3-7-19(15)23-13-5-4-8-20(18)23/h2-3,6-7,9-12,18,20H,4-5,8,13-14H2,1H3,(H,22,24)
InChIKeyGVBVNDQZFPXFLZ-UHFFFAOYSA-N
XLogP3.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine-5-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine-5-carboxamide (CID 46130733) is N-(4-methoxyphenyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine-5-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine-5-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine-5-carboxamide is COc1ccc(NC(=O)C2Cc3ccccc3N3CCCCC23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine-5-carboxamide?
The InChIKey is GVBVNDQZFPXFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-25-17-11-9-16(10-12-17)22-21(24)18-14-15-6-2-3-7-19(15)23-13-5-4-8-20(18)23/h2-3,6-7,9-12,18,20H,4-5,8,13-14H2,1H3,(H,22,24).
What are the key properties of N-(4-methoxyphenyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine-5-carboxamide?
N-(4-methoxyphenyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine-5-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine-5-carboxamide is sourced from PubChem (CID 46130733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).