2-(9-chloro-6-methyl-1,2,3,4-tetrahydroacridin-2-yl)acetonitrile

C16H15ClN2 — CID 145292338

IUPAC2-(9-chloro-6-methyl-1,2,3,4-tetrahydroacridin-2-yl)acetonitrile
SMILESCc1ccc2c(Cl)c3c(nc2c1)CCC(CC#N)C3
InChIInChI=1S/C16H15ClN2/c1-10-2-4-12-15(8-10)19-14-5-3-11(6-7-18)9-13(14)16(12)17/h2,4,8,11H,3,5-6,9H2,1H3
InChIKeyGJXJBSJCDAOIBP-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.22
Rot. Bonds1

About 2-(9-chloro-6-methyl-1,2,3,4-tetrahydroacridin-2-yl)acetonitrile

2-(9-chloro-6-methyl-1,2,3,4-tetrahydroacridin-2-yl)acetonitrile (PubChem CID 145292338) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-(9-chloro-6-methyl-1,2,3,4-tetrahydroacridin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(9-chloro-6-methyl-1,2,3,4-tetrahydroacridin-2-yl)acetonitrile
PubChem CID145292338
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name2-(9-chloro-6-methyl-1,2,3,4-tetrahydroacridin-2-yl)acetonitrile
SMILESCc1ccc2c(Cl)c3c(nc2c1)CCC(CC#N)C3
InChIInChI=1S/C16H15ClN2/c1-10-2-4-12-15(8-10)19-14-5-3-11(6-7-18)9-13(14)16(12)17/h2,4,8,11H,3,5-6,9H2,1H3
InChIKeyGJXJBSJCDAOIBP-UHFFFAOYSA-N
XLogP4.22
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(9-chloro-6-methyl-1,2,3,4-tetrahydroacridin-2-yl)acetonitrile 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-(9-chloro-6-methyl-1,2,3,4-tetrahydroacridin-2-yl)acetonitrile?
The IUPAC name of 2-(9-chloro-6-methyl-1,2,3,4-tetrahydroacridin-2-yl)acetonitrile (CID 145292338) is 2-(9-chloro-6-methyl-1,2,3,4-tetrahydroacridin-2-yl)acetonitrile.
What is the SMILES notation for 2-(9-chloro-6-methyl-1,2,3,4-tetrahydroacridin-2-yl)acetonitrile?
The canonical SMILES for 2-(9-chloro-6-methyl-1,2,3,4-tetrahydroacridin-2-yl)acetonitrile is Cc1ccc2c(Cl)c3c(nc2c1)CCC(CC#N)C3.
What is the InChIKey of 2-(9-chloro-6-methyl-1,2,3,4-tetrahydroacridin-2-yl)acetonitrile?
The InChIKey is GJXJBSJCDAOIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c1-10-2-4-12-15(8-10)19-14-5-3-11(6-7-18)9-13(14)16(12)17/h2,4,8,11H,3,5-6,9H2,1H3.
What are the key properties of 2-(9-chloro-6-methyl-1,2,3,4-tetrahydroacridin-2-yl)acetonitrile?
2-(9-chloro-6-methyl-1,2,3,4-tetrahydroacridin-2-yl)acetonitrile has a molecular weight of 270.76 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-chloro-6-methyl-1,2,3,4-tetrahydroacridin-2-yl)acetonitrile is sourced from PubChem (CID 145292338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).