8-[3-(2-methylbutan-2-yl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline

C17H23N3 — CID 114717316

IUPAC8-[3-(2-methylbutan-2-yl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline
SMILESCCC(C)(C)n1cncc1-c1cccc2c1NCCC2
InChIInChI=1S/C17H23N3/c1-4-17(2,3)20-12-18-11-15(20)14-9-5-7-13-8-6-10-19-16(13)14/h5,7,9,11-12,19H,4,6,8,10H2,1-3H3
InChIKeyCZUXZKHEDXQCLD-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.05
Rot. Bonds3

About 8-[3-(2-methylbutan-2-yl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline

8-[3-(2-methylbutan-2-yl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline (PubChem CID 114717316) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 8-[3-(2-methylbutan-2-yl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-[3-(2-methylbutan-2-yl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline
PubChem CID114717316
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name8-[3-(2-methylbutan-2-yl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline
SMILESCCC(C)(C)n1cncc1-c1cccc2c1NCCC2
InChIInChI=1S/C17H23N3/c1-4-17(2,3)20-12-18-11-15(20)14-9-5-7-13-8-6-10-19-16(13)14/h5,7,9,11-12,19H,4,6,8,10H2,1-3H3
InChIKeyCZUXZKHEDXQCLD-UHFFFAOYSA-N
XLogP4.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(2-methylbutan-2-yl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-[3-(2-methylbutan-2-yl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline (CID 114717316) is 8-[3-(2-methylbutan-2-yl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-[3-(2-methylbutan-2-yl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-[3-(2-methylbutan-2-yl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline is CCC(C)(C)n1cncc1-c1cccc2c1NCCC2.
What is the InChIKey of 8-[3-(2-methylbutan-2-yl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is CZUXZKHEDXQCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-4-17(2,3)20-12-18-11-15(20)14-9-5-7-13-8-6-10-19-16(13)14/h5,7,9,11-12,19H,4,6,8,10H2,1-3H3.
What are the key properties of 8-[3-(2-methylbutan-2-yl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline?
8-[3-(2-methylbutan-2-yl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 269.39 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(2-methylbutan-2-yl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 114717316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).