4-(3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-carbonitrile

C20H16N2 — CID 23080048

IUPAC4-(3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-carbonitrile
SMILESN#Cc1ccc(N2CCc3ccccc3C2)c2ccccc12
InChIInChI=1S/C20H16N2/c21-13-16-9-10-20(19-8-4-3-7-18(16)19)22-12-11-15-5-1-2-6-17(15)14-22/h1-10H,11-12,14H2
InChIKeyQPURELQLWMAOJC-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.27
Rot. Bonds1

About 4-(3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-carbonitrile

4-(3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-carbonitrile (PubChem CID 23080048) has the molecular formula C20H16N2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-carbonitrile
PubChem CID23080048
Molecular FormulaC20H16N2
Molecular Weight284.36 g/mol
Exact Mass284.13
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-carbonitrile
SMILESN#Cc1ccc(N2CCc3ccccc3C2)c2ccccc12
InChIInChI=1S/C20H16N2/c21-13-16-9-10-20(19-8-4-3-7-18(16)19)22-12-11-15-5-1-2-6-17(15)14-22/h1-10H,11-12,14H2
InChIKeyQPURELQLWMAOJC-UHFFFAOYSA-N
XLogP4.27
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-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 4-(3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-carbonitrile?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-carbonitrile (CID 23080048) is 4-(3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-carbonitrile.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-carbonitrile?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-carbonitrile is N#Cc1ccc(N2CCc3ccccc3C2)c2ccccc12.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-carbonitrile?
The InChIKey is QPURELQLWMAOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2/c21-13-16-9-10-20(19-8-4-3-7-18(16)19)22-12-11-15-5-1-2-6-17(15)14-22/h1-10H,11-12,14H2.
What are the key properties of 4-(3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-carbonitrile?
4-(3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-carbonitrile has a molecular weight of 284.36 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-carbonitrile is sourced from PubChem (CID 23080048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).