4,6-dihydrocinnoline

C8H8N2 — CID 123151316

IUPAC4,6-dihydrocinnoline
SMILESC1=CC2=NN=CCC2=CC1
InChIInChI=1S/C8H8N2/c1-2-4-8-7(3-1)5-6-9-10-8/h2-4,6H,1,5H2
InChIKeyXQOUIASWICKMBC-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.70
Rot. Bonds

About 4,6-dihydrocinnoline

4,6-dihydrocinnoline (PubChem CID 123151316) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 4,6-dihydrocinnoline.

Molecular Properties

Compound Name4,6-dihydrocinnoline
PubChem CID123151316
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name4,6-dihydrocinnoline
SMILESC1=CC2=NN=CCC2=CC1
InChIInChI=1S/C8H8N2/c1-2-4-8-7(3-1)5-6-9-10-8/h2-4,6H,1,5H2
InChIKeyXQOUIASWICKMBC-UHFFFAOYSA-N
XLogP1.70
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-5H-phthalazin-5-ide;yttrium
CID 59098045
8-Methanidylidenequinolin-1-ium
CID 60114120
2,3,4,5-Tetrazabicyclo[12.4.0]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 69739143
2H-cyclohepta[h][1,2,3]benzotriazine
CID 87491953
3,4,5-Triazatricyclo[8.7.0.02,7]heptadeca-1(17),2,5,7,9,11,13,15-octaene
CID 87492765
1,5-Dimethyl-6,7-dihydrophthalazine
CID 89495223
4,4a,5,8-Tetrahydrocinnoline
CID 90689312
2,3,7,8-Tetrahydro-1,6-naphthyridine
CID 90931696
4,6,7,8-Tetrahydrocinnoline
CID 91152577
4,4a,5,6-Tetrahydrocinnoline
CID 91246430
2,3,5,8-Tetrahydro-1,6-naphthyridine
CID 91292933
2,3,5,8-Tetrahydro-1,7-naphthyridine
CID 91401775

Frequently Asked Questions

What is the IUPAC name of 4,6-dihydrocinnoline?
The IUPAC name of 4,6-dihydrocinnoline (CID 123151316) is 4,6-dihydrocinnoline.
What is the SMILES notation for 4,6-dihydrocinnoline?
The canonical SMILES for 4,6-dihydrocinnoline is C1=CC2=NN=CCC2=CC1.
What is the InChIKey of 4,6-dihydrocinnoline?
The InChIKey is XQOUIASWICKMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-2-4-8-7(3-1)5-6-9-10-8/h2-4,6H,1,5H2.
What are the key properties of 4,6-dihydrocinnoline?
4,6-dihydrocinnoline has a molecular weight of 132.17 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dihydrocinnoline is sourced from PubChem (CID 123151316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).