6-tert-butylquinoline;7-tert-butylquinoline

C26H30N2 — CID 159076219

IUPAC6-tert-butylquinoline;7-tert-butylquinoline
SMILESCC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2ncccc2c1
InChIInChI=1S/2C13H15N/c1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11/h2*4-9H,1-3H3
InChIKeyKAHALOKCBWLTEL-UHFFFAOYSA-N
MW370.54 g/mol
LogP7.06
Rot. Bonds

About 6-tert-butylquinoline;7-tert-butylquinoline

6-tert-butylquinoline;7-tert-butylquinoline (PubChem CID 159076219) has the molecular formula C26H30N2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 6-tert-butylquinoline;7-tert-butylquinoline.

Molecular Properties

Compound Name6-tert-butylquinoline;7-tert-butylquinoline
PubChem CID159076219
Molecular FormulaC26H30N2
Molecular Weight370.54 g/mol
Exact Mass370.24
IUPAC Name6-tert-butylquinoline;7-tert-butylquinoline
SMILESCC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2ncccc2c1
InChIInChI=1S/2C13H15N/c1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11/h2*4-9H,1-3H3
InChIKeyKAHALOKCBWLTEL-UHFFFAOYSA-N
XLogP7.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-tert-butylquinoline;7-tert-butylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;6-tert-butylquinoxaline
CID 158095111
6-tert-butyl-2-methylquinoxaline;3-tert-butyl-1,5-naphthyridine;6-tert-butylquinoline;6-tert-butylquinoxaline
CID 157191671
6-(2-methylsulfonylpropan-2-yl)quinoline
CID 91258076
2-methyl-2-quinolin-7-ylpropanoic acid
CID 81223992
1-phenyl-1-quinolin-7-ylethanamine
CID 81216667
4-(1-hydroxy-1-quinolin-6-ylethyl)phenol
CID 83076007
3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline
CID 163657036
4-tert-butyl-N-methylpyridine-2-carboxamide;4-tert-butylpyridine;6-tert-butylquinazoline;6-tert-butylquinoline;bis(7-tert-butylquinoline)
CID 159967187
1-(4-chlorophenyl)-1-quinolin-6-ylethanol
CID 81216254
(4-tert-butylphenyl)-quinolin-6-ylmethanamine
CID 82106268
2-methyl-2-quinolin-6-ylpropanehydrazide
CID 66927115
bis(2,2-dimethylpropane);ethane;quinoline
CID 159309624

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylquinoline;7-tert-butylquinoline?
The IUPAC name of 6-tert-butylquinoline;7-tert-butylquinoline (CID 159076219) is 6-tert-butylquinoline;7-tert-butylquinoline.
What is the SMILES notation for 6-tert-butylquinoline;7-tert-butylquinoline?
The canonical SMILES for 6-tert-butylquinoline;7-tert-butylquinoline is CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2ncccc2c1.
What is the InChIKey of 6-tert-butylquinoline;7-tert-butylquinoline?
The InChIKey is KAHALOKCBWLTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H15N/c1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11/h2*4-9H,1-3H3.
What are the key properties of 6-tert-butylquinoline;7-tert-butylquinoline?
6-tert-butylquinoline;7-tert-butylquinoline has a molecular weight of 370.54 g/mol, XLogP of 7.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylquinoline;7-tert-butylquinoline is sourced from PubChem (CID 159076219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).