(8S)-10-methyl-8-phenyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-b]acridine-8-carbonitrile

C22H18N2O2 — CID 2459617

IUPAC(8S)-10-methyl-8-phenyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-b]acridine-8-carbonitrile
SMILESCc1c2c(nc3cc4c(cc13)OCO4)CC[C@@](C#N)(c1ccccc1)C2
InChIInChI=1S/C22H18N2O2/c1-14-16-9-20-21(26-13-25-20)10-19(16)24-18-7-8-22(12-23,11-17(14)18)15-5-3-2-4-6-15/h2-6,9-10H,7-8,11,13H2,1H3/t22-/m1/s1
InChIKeyYFDQNXHMBVIQTQ-JOCHJYFZSA-N
MW342.40 g/mol
LogP4.22
Rot. Bonds1

About (8S)-10-methyl-8-phenyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-b]acridine-8-carbonitrile

(8S)-10-methyl-8-phenyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-b]acridine-8-carbonitrile (PubChem CID 2459617) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (8S)-10-methyl-8-phenyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-b]acridine-8-carbonitrile.

Molecular Properties

Compound Name(8S)-10-methyl-8-phenyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-b]acridine-8-carbonitrile
PubChem CID2459617
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name(8S)-10-methyl-8-phenyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-b]acridine-8-carbonitrile
SMILESCc1c2c(nc3cc4c(cc13)OCO4)CC[C@@](C#N)(c1ccccc1)C2
InChIInChI=1S/C22H18N2O2/c1-14-16-9-20-21(26-13-25-20)10-19(16)24-18-7-8-22(12-23,11-17(14)18)15-5-3-2-4-6-15/h2-6,9-10H,7-8,11,13H2,1H3/t22-/m1/s1
InChIKeyYFDQNXHMBVIQTQ-JOCHJYFZSA-N
XLogP4.22
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (8S)-10-methyl-8-phenyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-b]acridine-8-carbonitrile 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 (8S)-10-methyl-8-phenyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-b]acridine-8-carbonitrile?
The IUPAC name of (8S)-10-methyl-8-phenyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-b]acridine-8-carbonitrile (CID 2459617) is (8S)-10-methyl-8-phenyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-b]acridine-8-carbonitrile.
What is the SMILES notation for (8S)-10-methyl-8-phenyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-b]acridine-8-carbonitrile?
The canonical SMILES for (8S)-10-methyl-8-phenyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-b]acridine-8-carbonitrile is Cc1c2c(nc3cc4c(cc13)OCO4)CC[C@@](C#N)(c1ccccc1)C2.
What is the InChIKey of (8S)-10-methyl-8-phenyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-b]acridine-8-carbonitrile?
The InChIKey is YFDQNXHMBVIQTQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-14-16-9-20-21(26-13-25-20)10-19(16)24-18-7-8-22(12-23,11-17(14)18)15-5-3-2-4-6-15/h2-6,9-10H,7-8,11,13H2,1H3/t22-/m1/s1.
What are the key properties of (8S)-10-methyl-8-phenyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-b]acridine-8-carbonitrile?
(8S)-10-methyl-8-phenyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-b]acridine-8-carbonitrile has a molecular weight of 342.40 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-10-methyl-8-phenyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-b]acridine-8-carbonitrile is sourced from PubChem (CID 2459617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).