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

C19H27N3O3 — CID 11484758

IUPAC1-(2-amino-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-3-yl)pyrrolidin-2-one
SMILESCOc1cc2c(cc1OC)C1CC(N)C(N3CCCC3=O)CN1CC2
InChIInChI=1S/C19H27N3O3/c1-24-17-8-12-5-7-21-11-16(22-6-3-4-19(22)23)14(20)10-15(21)13(12)9-18(17)25-2/h8-9,14-16H,3-7,10-11,20H2,1-2H3
InChIKeyINWWWTILZXHHJN-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.33
Rot. Bonds3

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

1-(2-amino-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-3-yl)pyrrolidin-2-one (PubChem CID 11484758) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-(2-amino-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-amino-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-3-yl)pyrrolidin-2-one
PubChem CID11484758
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-(2-amino-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-3-yl)pyrrolidin-2-one
SMILESCOc1cc2c(cc1OC)C1CC(N)C(N3CCCC3=O)CN1CC2
InChIInChI=1S/C19H27N3O3/c1-24-17-8-12-5-7-21-11-16(22-6-3-4-19(22)23)14(20)10-15(21)13(12)9-18(17)25-2/h8-9,14-16H,3-7,10-11,20H2,1-2H3
InChIKeyINWWWTILZXHHJN-UHFFFAOYSA-N
XLogP1.33
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-3-yl)pyrrolidin-2-one?
The IUPAC name of 1-(2-amino-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-3-yl)pyrrolidin-2-one (CID 11484758) is 1-(2-amino-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-amino-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-3-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-amino-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-3-yl)pyrrolidin-2-one is COc1cc2c(cc1OC)C1CC(N)C(N3CCCC3=O)CN1CC2.
What is the InChIKey of 1-(2-amino-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-3-yl)pyrrolidin-2-one?
The InChIKey is INWWWTILZXHHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-24-17-8-12-5-7-21-11-16(22-6-3-4-19(22)23)14(20)10-15(21)13(12)9-18(17)25-2/h8-9,14-16H,3-7,10-11,20H2,1-2H3.
What are the key properties of 1-(2-amino-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-3-yl)pyrrolidin-2-one?
1-(2-amino-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-3-yl)pyrrolidin-2-one has a molecular weight of 345.44 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 11484758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).