cinnoline-3,8-dicarbonitrile

C10H4N4 — CID 172609726

IUPACcinnoline-3,8-dicarbonitrile
SMILESN#Cc1cc2cccc(C#N)c2nn1
InChIInChI=1S/C10H4N4/c11-5-8-3-1-2-7-4-9(6-12)13-14-10(7)8/h1-4H
InChIKeyBNKZQTBDRVHVOB-UHFFFAOYSA-N
MW180.17 g/mol
LogP1.37
Rot. Bonds

About cinnoline-3,8-dicarbonitrile

cinnoline-3,8-dicarbonitrile (PubChem CID 172609726) has the molecular formula C10H4N4 and a molecular weight of 180.17 g/mol. Its IUPAC name is cinnoline-3,8-dicarbonitrile.

Molecular Properties

Compound Namecinnoline-3,8-dicarbonitrile
PubChem CID172609726
Molecular FormulaC10H4N4
Molecular Weight180.17 g/mol
Exact Mass180.04
IUPAC Namecinnoline-3,8-dicarbonitrile
SMILESN#Cc1cc2cccc(C#N)c2nn1
InChIInChI=1S/C10H4N4/c11-5-8-3-1-2-7-4-9(6-12)13-14-10(7)8/h1-4H
InChIKeyBNKZQTBDRVHVOB-UHFFFAOYSA-N
XLogP1.37
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethylquinoline-8-carbonitrile
CID 174264832
3-phenylquinoline-8-carbonitrile
CID 25208899
quinoline-8-carbonitrile;trihydrochloride
CID 141468212
anthracene-1-carbonitrile
CID 3036603
naphthalene-2,3-dicarbonitrile
CID 601270
hexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(26),2,4,6,8,10,12(17),13,15,18,20,22,24-tridecaene-14,15-dicarbonitrile
CID 139436117
2-phenylquinazoline-8-carbonitrile
CID 174872063
naphthalene-1-carbonitrile;sulfane
CID 175607355
4-bromo-2-methylquinoline-8-carbonitrile
CID 178002793
2-fluoro-1,3-benzoxazole-4-carbonitrile
CID 118816361
8-methyl-2-(methylamino)quinoline-3-carbonitrile
CID 84619490
3-chloroquinoxaline-5-carbonitrile
CID 119083814

Frequently Asked Questions

What is the IUPAC name of cinnoline-3,8-dicarbonitrile?
The IUPAC name of cinnoline-3,8-dicarbonitrile (CID 172609726) is cinnoline-3,8-dicarbonitrile.
What is the SMILES notation for cinnoline-3,8-dicarbonitrile?
The canonical SMILES for cinnoline-3,8-dicarbonitrile is N#Cc1cc2cccc(C#N)c2nn1.
What is the InChIKey of cinnoline-3,8-dicarbonitrile?
The InChIKey is BNKZQTBDRVHVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4N4/c11-5-8-3-1-2-7-4-9(6-12)13-14-10(7)8/h1-4H.
What are the key properties of cinnoline-3,8-dicarbonitrile?
cinnoline-3,8-dicarbonitrile has a molecular weight of 180.17 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cinnoline-3,8-dicarbonitrile is sourced from PubChem (CID 172609726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).