4-methylcinnoline

C9H8N2 — CID 26843

IUPAC4-methylcinnoline
SMILESCc1cnnc2ccccc12
InChIInChI=1S/C9H8N2/c1-7-6-10-11-9-5-3-2-4-8(7)9/h2-6H,1H3
InChIKeyKREYIEXCOLYLAV-UHFFFAOYSA-N
MW144.18 g/mol
LogP1.94
Rot. Bonds

About 4-methylcinnoline

4-methylcinnoline (PubChem CID 26843) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 4-methylcinnoline.

Molecular Properties

Compound Name4-methylcinnoline
PubChem CID26843
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name4-methylcinnoline
SMILESCc1cnnc2ccccc12
InChIInChI=1S/C9H8N2/c1-7-6-10-11-9-5-3-2-4-8(7)9/h2-6H,1H3
InChIKeyKREYIEXCOLYLAV-UHFFFAOYSA-N
XLogP1.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phthalazine
CID 9207
Benzo(c)cinnoline
CID 9190
4-(2-Phenylethenyl)cinnoline
CID 22797
3-Phenylpyridazine
CID 193499
3-Methylcinnolin-5-amine
CID 5310645
Benzo[c]cinnoline N-oxide
CID 72826
4-Phenylcinnoline
CID 609867
3-Phenylcinnoline
CID 82763
3-Methyl-5-phenylpyridazine
CID 2736934
3,5-Diphenylpyridazine
CID 10443943
Cinnoline
CID 9208
4-Styrylcinnoline
CID 6433479

Frequently Asked Questions

What is the IUPAC name of 4-methylcinnoline?
The IUPAC name of 4-methylcinnoline (CID 26843) is 4-methylcinnoline.
What is the SMILES notation for 4-methylcinnoline?
The canonical SMILES for 4-methylcinnoline is Cc1cnnc2ccccc12.
What is the InChIKey of 4-methylcinnoline?
The InChIKey is KREYIEXCOLYLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c1-7-6-10-11-9-5-3-2-4-8(7)9/h2-6H,1H3.
What are the key properties of 4-methylcinnoline?
4-methylcinnoline has a molecular weight of 144.18 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylcinnoline is sourced from PubChem (CID 26843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).