1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-6-methyl-3-phenylquinoxalin-2-one

C25H29N3O — CID 141225487

IUPAC1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-6-methyl-3-phenylquinoxalin-2-one
SMILESCc1ccc2c(c1)nc(-c1ccccc1)c(=O)n2CC1CCCN2CCCCC12
InChIInChI=1S/C25H29N3O/c1-18-12-13-23-21(16-18)26-24(19-8-3-2-4-9-19)25(29)28(23)17-20-10-7-15-27-14-6-5-11-22(20)27/h2-4,8-9,12-13,16,20,22H,5-7,10-11,14-15,17H2,1H3
InChIKeyXVLDXGOSDMFXHK-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.64
Rot. Bonds3

About 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-6-methyl-3-phenylquinoxalin-2-one

1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-6-methyl-3-phenylquinoxalin-2-one (PubChem CID 141225487) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-6-methyl-3-phenylquinoxalin-2-one.

Molecular Properties

Compound Name1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-6-methyl-3-phenylquinoxalin-2-one
PubChem CID141225487
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-6-methyl-3-phenylquinoxalin-2-one
SMILESCc1ccc2c(c1)nc(-c1ccccc1)c(=O)n2CC1CCCN2CCCCC12
InChIInChI=1S/C25H29N3O/c1-18-12-13-23-21(16-18)26-24(19-8-3-2-4-9-19)25(29)28(23)17-20-10-7-15-27-14-6-5-11-22(20)27/h2-4,8-9,12-13,16,20,22H,5-7,10-11,14-15,17H2,1H3
InChIKeyXVLDXGOSDMFXHK-UHFFFAOYSA-N
XLogP4.64
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-6-methyl-3-phenylquinoxalin-2-one?
The IUPAC name of 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-6-methyl-3-phenylquinoxalin-2-one (CID 141225487) is 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-6-methyl-3-phenylquinoxalin-2-one.
What is the SMILES notation for 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-6-methyl-3-phenylquinoxalin-2-one?
The canonical SMILES for 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-6-methyl-3-phenylquinoxalin-2-one is Cc1ccc2c(c1)nc(-c1ccccc1)c(=O)n2CC1CCCN2CCCCC12.
What is the InChIKey of 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-6-methyl-3-phenylquinoxalin-2-one?
The InChIKey is XVLDXGOSDMFXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-18-12-13-23-21(16-18)26-24(19-8-3-2-4-9-19)25(29)28(23)17-20-10-7-15-27-14-6-5-11-22(20)27/h2-4,8-9,12-13,16,20,22H,5-7,10-11,14-15,17H2,1H3.
What are the key properties of 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-6-methyl-3-phenylquinoxalin-2-one?
1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-6-methyl-3-phenylquinoxalin-2-one has a molecular weight of 387.53 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-6-methyl-3-phenylquinoxalin-2-one is sourced from PubChem (CID 141225487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).