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

C17H23N3O — CID 114722364

IUPAC8-[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline
SMILESCOC(C)(C)Cn1cncc1-c1cccc2c1NCCC2
InChIInChI=1S/C17H23N3O/c1-17(2,21-3)11-20-12-18-10-15(20)14-8-4-6-13-7-5-9-19-16(13)14/h4,6,8,10,12,19H,5,7,9,11H2,1-3H3
InChIKeyJJCPNPKMJGVBOS-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.33
Rot. Bonds4

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

8-[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline (PubChem CID 114722364) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 8-[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline
PubChem CID114722364
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name8-[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline
SMILESCOC(C)(C)Cn1cncc1-c1cccc2c1NCCC2
InChIInChI=1S/C17H23N3O/c1-17(2,21-3)11-20-12-18-10-15(20)14-8-4-6-13-7-5-9-19-16(13)14/h4,6,8,10,12,19H,5,7,9,11H2,1-3H3
InChIKeyJJCPNPKMJGVBOS-UHFFFAOYSA-N
XLogP3.33
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline
CID 114722090
8-[3-(2-methylbutan-2-yl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline
CID 114717316
3-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]propan-1-amine
CID 114718280
N-methyl-2-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]acetamide
CID 114715972
8-[3-(2-cyclopropylpropyl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline
CID 114722102
5-[[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]methyl]-1,2-oxazole
CID 106422528
8-(3-pentan-2-ylimidazol-4-yl)-1,2,3,4-tetrahydroquinoline
CID 114716664
7-[3-(cyclopropylmethyl)imidazol-4-yl]-2,3-dihydro-1H-indole
CID 114717398
7-(3-benzylimidazol-4-yl)-2,3-dihydro-1H-indole
CID 114716253
2-[[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 106377546
3-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]-N-methylpropanamide
CID 114719194
7-[3-(4-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole
CID 114721013

Frequently Asked Questions

What is the IUPAC name of 8-[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline (CID 114722364) is 8-[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline is COC(C)(C)Cn1cncc1-c1cccc2c1NCCC2.
What is the InChIKey of 8-[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is JJCPNPKMJGVBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-17(2,21-3)11-20-12-18-10-15(20)14-8-4-6-13-7-5-9-19-16(13)14/h4,6,8,10,12,19H,5,7,9,11H2,1-3H3.
What are the key properties of 8-[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline?
8-[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 285.39 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 114722364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).