4-phenylisoquinoline;quinoline-3-carbonitrile

C25H17N3 — CID 174493655

IUPAC4-phenylisoquinoline;quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1.c1ccc(-c2cncc3ccccc23)cc1
InChIInChI=1S/C15H11N.C10H6N2/c1-2-6-12(7-3-1)15-11-16-10-13-8-4-5-9-14(13)15;11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-11H;1-5,7H
InChIKeyWVMPTGCGIGZLTR-UHFFFAOYSA-N
MW359.43 g/mol
LogP6.01
Rot. Bonds1

About 4-phenylisoquinoline;quinoline-3-carbonitrile

4-phenylisoquinoline;quinoline-3-carbonitrile (PubChem CID 174493655) has the molecular formula C25H17N3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-phenylisoquinoline;quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-phenylisoquinoline;quinoline-3-carbonitrile
PubChem CID174493655
Molecular FormulaC25H17N3
Molecular Weight359.43 g/mol
Exact Mass359.14
IUPAC Name4-phenylisoquinoline;quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1.c1ccc(-c2cncc3ccccc23)cc1
InChIInChI=1S/C15H11N.C10H6N2/c1-2-6-12(7-3-1)15-11-16-10-13-8-4-5-9-14(13)15;11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-11H;1-5,7H
InChIKeyWVMPTGCGIGZLTR-UHFFFAOYSA-N
XLogP6.01
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenylisoquinoline;quinoline-3-carbonitrile?
The IUPAC name of 4-phenylisoquinoline;quinoline-3-carbonitrile (CID 174493655) is 4-phenylisoquinoline;quinoline-3-carbonitrile.
What is the SMILES notation for 4-phenylisoquinoline;quinoline-3-carbonitrile?
The canonical SMILES for 4-phenylisoquinoline;quinoline-3-carbonitrile is N#Cc1cnc2ccccc2c1.c1ccc(-c2cncc3ccccc23)cc1.
What is the InChIKey of 4-phenylisoquinoline;quinoline-3-carbonitrile?
The InChIKey is WVMPTGCGIGZLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N.C10H6N2/c1-2-6-12(7-3-1)15-11-16-10-13-8-4-5-9-14(13)15;11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-11H;1-5,7H.
What are the key properties of 4-phenylisoquinoline;quinoline-3-carbonitrile?
4-phenylisoquinoline;quinoline-3-carbonitrile has a molecular weight of 359.43 g/mol, XLogP of 6.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylisoquinoline;quinoline-3-carbonitrile is sourced from PubChem (CID 174493655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).