7-tert-butyl-8-methylquinoline

C14H17N — CID 146326372

IUPAC7-tert-butyl-8-methylquinoline
SMILESCc1c(C(C)(C)C)ccc2cccnc12
InChIInChI=1S/C14H17N/c1-10-12(14(2,3)4)8-7-11-6-5-9-15-13(10)11/h5-9H,1-4H3
InChIKeyKMPWGZSELDBEBQ-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.84
Rot. Bonds

About 7-tert-butyl-8-methylquinoline

7-tert-butyl-8-methylquinoline (PubChem CID 146326372) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 7-tert-butyl-8-methylquinoline.

Molecular Properties

Compound Name7-tert-butyl-8-methylquinoline
PubChem CID146326372
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name7-tert-butyl-8-methylquinoline
SMILESCc1c(C(C)(C)C)ccc2cccnc12
InChIInChI=1S/C14H17N/c1-10-12(14(2,3)4)8-7-11-6-5-9-15-13(10)11/h5-9H,1-4H3
InChIKeyKMPWGZSELDBEBQ-UHFFFAOYSA-N
XLogP3.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7,8-dimethylquinoline;ethane
CID 91494918
2-quinolin-8-ylpropane-2-thiol
CID 123447185
europium;1,10-phenanthroline
CID 20606755
CID 58385596
CID 58385596
1,10-phenanthroline;samarium
CID 174616745
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
bis(1,10-phenanthroline);ruthenium
CID 15001085
3-tert-butyl-2-methylpyridine;ethane
CID 90980079
5,8-ditert-butylquinoline;ethane
CID 142102448
2-[2-(1,10-phenanthrolin-2-yl)propan-2-yl]-1,10-phenanthroline
CID 139174668

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-8-methylquinoline?
The IUPAC name of 7-tert-butyl-8-methylquinoline (CID 146326372) is 7-tert-butyl-8-methylquinoline.
What is the SMILES notation for 7-tert-butyl-8-methylquinoline?
The canonical SMILES for 7-tert-butyl-8-methylquinoline is Cc1c(C(C)(C)C)ccc2cccnc12.
What is the InChIKey of 7-tert-butyl-8-methylquinoline?
The InChIKey is KMPWGZSELDBEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-10-12(14(2,3)4)8-7-11-6-5-9-15-13(10)11/h5-9H,1-4H3.
What are the key properties of 7-tert-butyl-8-methylquinoline?
7-tert-butyl-8-methylquinoline has a molecular weight of 199.30 g/mol, XLogP of 3.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-8-methylquinoline is sourced from PubChem (CID 146326372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).