4,6-ditert-butylcinnoline

C16H22N2 — CID 176780982

IUPAC4,6-ditert-butylcinnoline
SMILESCC(C)(C)c1ccc2nncc(C(C)(C)C)c2c1
InChIInChI=1S/C16H22N2/c1-15(2,3)11-7-8-14-12(9-11)13(10-17-18-14)16(4,5)6/h7-10H,1-6H3
InChIKeyMXEUJVZUPBGACS-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.22
Rot. Bonds

About 4,6-ditert-butylcinnoline

4,6-ditert-butylcinnoline (PubChem CID 176780982) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 4,6-ditert-butylcinnoline.

Molecular Properties

Compound Name4,6-ditert-butylcinnoline
PubChem CID176780982
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name4,6-ditert-butylcinnoline
SMILESCC(C)(C)c1ccc2nncc(C(C)(C)C)c2c1
InChIInChI=1S/C16H22N2/c1-15(2,3)11-7-8-14-12(9-11)13(10-17-18-14)16(4,5)6/h7-10H,1-6H3
InChIKeyMXEUJVZUPBGACS-UHFFFAOYSA-N
XLogP4.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butylpyrido[2,3-c]pyridazine
CID 59647526
2,7-ditert-butylphenazine
CID 59610780
5-tert-butyl-3-chloro-2H-indazole
CID 89476377
2,7-ditert-butyl-9-(2,7-ditert-butylphenanthren-9-yl)phenanthrene
CID 123877985
4-tert-butyl-2,6-dimethylquinoline
CID 20728117
6-tert-butylquinazolin-4-amine
CID 58008725
1,7-ditert-butylnaphthalene
CID 59350345
sodium 2,4-ditert-butylphenolate
CID 23662446
5-tert-butyl-3-chloropyridazine
CID 138722408
5,8-ditert-butylindazolo[2,3-a]quinoline
CID 140607242
2-tert-butyl-9-chloroacridine
CID 620349
CID 143036156
CID 143036156

Frequently Asked Questions

What is the IUPAC name of 4,6-ditert-butylcinnoline?
The IUPAC name of 4,6-ditert-butylcinnoline (CID 176780982) is 4,6-ditert-butylcinnoline.
What is the SMILES notation for 4,6-ditert-butylcinnoline?
The canonical SMILES for 4,6-ditert-butylcinnoline is CC(C)(C)c1ccc2nncc(C(C)(C)C)c2c1.
What is the InChIKey of 4,6-ditert-butylcinnoline?
The InChIKey is MXEUJVZUPBGACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-15(2,3)11-7-8-14-12(9-11)13(10-17-18-14)16(4,5)6/h7-10H,1-6H3.
What are the key properties of 4,6-ditert-butylcinnoline?
4,6-ditert-butylcinnoline has a molecular weight of 242.37 g/mol, XLogP of 4.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-ditert-butylcinnoline is sourced from PubChem (CID 176780982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).