(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-phenazin-1-ylmethanone

C26H24N4O — CID 4232185

IUPAC(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-phenazin-1-ylmethanone
SMILESCc1ccc2c(c1)C1CN(C)CCC1N2C(=O)c1cccc2nc3ccccc3nc12
InChIInChI=1S/C26H24N4O/c1-16-10-11-23-18(14-16)19-15-29(2)13-12-24(19)30(23)26(31)17-6-5-9-22-25(17)28-21-8-4-3-7-20(21)27-22/h3-11,14,19,24H,12-13,15H2,1-2H3
InChIKeyNBFWQHUSMJBCCD-UHFFFAOYSA-N
MW408.51 g/mol
LogP4.54
Rot. Bonds1

About (2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-phenazin-1-ylmethanone

(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-phenazin-1-ylmethanone (PubChem CID 4232185) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is (2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-phenazin-1-ylmethanone.

Molecular Properties

Compound Name(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-phenazin-1-ylmethanone
PubChem CID4232185
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC Name(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-phenazin-1-ylmethanone
SMILESCc1ccc2c(c1)C1CN(C)CCC1N2C(=O)c1cccc2nc3ccccc3nc12
InChIInChI=1S/C26H24N4O/c1-16-10-11-23-18(14-16)19-15-29(2)13-12-24(19)30(23)26(31)17-6-5-9-22-25(17)28-21-8-4-3-7-20(21)27-22/h3-11,14,19,24H,12-13,15H2,1-2H3
InChIKeyNBFWQHUSMJBCCD-UHFFFAOYSA-N
XLogP4.54
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze (2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-phenazin-1-ylmethanone 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 (2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-phenazin-1-ylmethanone?
The IUPAC name of (2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-phenazin-1-ylmethanone (CID 4232185) is (2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-phenazin-1-ylmethanone.
What is the SMILES notation for (2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-phenazin-1-ylmethanone?
The canonical SMILES for (2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-phenazin-1-ylmethanone is Cc1ccc2c(c1)C1CN(C)CCC1N2C(=O)c1cccc2nc3ccccc3nc12.
What is the InChIKey of (2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-phenazin-1-ylmethanone?
The InChIKey is NBFWQHUSMJBCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O/c1-16-10-11-23-18(14-16)19-15-29(2)13-12-24(19)30(23)26(31)17-6-5-9-22-25(17)28-21-8-4-3-7-20(21)27-22/h3-11,14,19,24H,12-13,15H2,1-2H3.
What are the key properties of (2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-phenazin-1-ylmethanone?
(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-phenazin-1-ylmethanone has a molecular weight of 408.51 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-phenazin-1-ylmethanone is sourced from PubChem (CID 4232185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).