7-tert-butyl-4-methylquinoline

C14H17N — CID 176586336

IUPAC7-tert-butyl-4-methylquinoline
SMILESCc1ccnc2cc(C(C)(C)C)ccc12
InChIInChI=1S/C14H17N/c1-10-7-8-15-13-9-11(14(2,3)4)5-6-12(10)13/h5-9H,1-4H3
InChIKeyRPTJKGBZEDEGJZ-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.84
Rot. Bonds

About 7-tert-butyl-4-methylquinoline

7-tert-butyl-4-methylquinoline (PubChem CID 176586336) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 7-tert-butyl-4-methylquinoline.

Molecular Properties

Compound Name7-tert-butyl-4-methylquinoline
PubChem CID176586336
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name7-tert-butyl-4-methylquinoline
SMILESCc1ccnc2cc(C(C)(C)C)ccc12
InChIInChI=1S/C14H17N/c1-10-7-8-15-13-9-11(14(2,3)4)5-6-12(10)13/h5-9H,1-4H3
InChIKeyRPTJKGBZEDEGJZ-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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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-4-methylquinoline?
The IUPAC name of 7-tert-butyl-4-methylquinoline (CID 176586336) is 7-tert-butyl-4-methylquinoline.
What is the SMILES notation for 7-tert-butyl-4-methylquinoline?
The canonical SMILES for 7-tert-butyl-4-methylquinoline is Cc1ccnc2cc(C(C)(C)C)ccc12.
What is the InChIKey of 7-tert-butyl-4-methylquinoline?
The InChIKey is RPTJKGBZEDEGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-10-7-8-15-13-9-11(14(2,3)4)5-6-12(10)13/h5-9H,1-4H3.
What are the key properties of 7-tert-butyl-4-methylquinoline?
7-tert-butyl-4-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-4-methylquinoline is sourced from PubChem (CID 176586336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).