2-(1-methylnaphthalen-2-yl)quinoline-3-carbonitrile

C21H14N2 — CID 58049919

IUPAC2-(1-methylnaphthalen-2-yl)quinoline-3-carbonitrile
SMILESCc1c(-c2nc3ccccc3cc2C#N)ccc2ccccc12
InChIInChI=1S/C21H14N2/c1-14-18-8-4-2-6-15(18)10-11-19(14)21-17(13-22)12-16-7-3-5-9-20(16)23-21/h2-12H,1H3
InChIKeyZOGJEIKMIRTFST-UHFFFAOYSA-N
MW294.36 g/mol
LogP5.24
Rot. Bonds1

About 2-(1-methylnaphthalen-2-yl)quinoline-3-carbonitrile

2-(1-methylnaphthalen-2-yl)quinoline-3-carbonitrile (PubChem CID 58049919) has the molecular formula C21H14N2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-(1-methylnaphthalen-2-yl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(1-methylnaphthalen-2-yl)quinoline-3-carbonitrile
PubChem CID58049919
Molecular FormulaC21H14N2
Molecular Weight294.36 g/mol
Exact Mass294.12
IUPAC Name2-(1-methylnaphthalen-2-yl)quinoline-3-carbonitrile
SMILESCc1c(-c2nc3ccccc3cc2C#N)ccc2ccccc12
InChIInChI=1S/C21H14N2/c1-14-18-8-4-2-6-15(18)10-11-19(14)21-17(13-22)12-16-7-3-5-9-20(16)23-21/h2-12H,1H3
InChIKeyZOGJEIKMIRTFST-UHFFFAOYSA-N
XLogP5.24
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.36
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylnaphthalen-2-yl)quinoline-3-carbonitrile?
The IUPAC name of 2-(1-methylnaphthalen-2-yl)quinoline-3-carbonitrile (CID 58049919) is 2-(1-methylnaphthalen-2-yl)quinoline-3-carbonitrile.
What is the SMILES notation for 2-(1-methylnaphthalen-2-yl)quinoline-3-carbonitrile?
The canonical SMILES for 2-(1-methylnaphthalen-2-yl)quinoline-3-carbonitrile is Cc1c(-c2nc3ccccc3cc2C#N)ccc2ccccc12.
What is the InChIKey of 2-(1-methylnaphthalen-2-yl)quinoline-3-carbonitrile?
The InChIKey is ZOGJEIKMIRTFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2/c1-14-18-8-4-2-6-15(18)10-11-19(14)21-17(13-22)12-16-7-3-5-9-20(16)23-21/h2-12H,1H3.
What are the key properties of 2-(1-methylnaphthalen-2-yl)quinoline-3-carbonitrile?
2-(1-methylnaphthalen-2-yl)quinoline-3-carbonitrile has a molecular weight of 294.36 g/mol, XLogP of 5.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylnaphthalen-2-yl)quinoline-3-carbonitrile is sourced from PubChem (CID 58049919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).