5-(2-ethylimidazol-1-yl)-1,2,3,4-tetrahydroquinoline

C14H17N3 — CID 81224764

IUPAC5-(2-ethylimidazol-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCCc1nccn1-c1cccc2c1CCCN2
InChIInChI=1S/C14H17N3/c1-2-14-16-9-10-17(14)13-7-3-6-12-11(13)5-4-8-15-12/h3,6-7,9-10,15H,2,4-5,8H2,1H3
InChIKeyLDDXCVGKHCXQSU-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.79
Rot. Bonds2

About 5-(2-ethylimidazol-1-yl)-1,2,3,4-tetrahydroquinoline

5-(2-ethylimidazol-1-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 81224764) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 5-(2-ethylimidazol-1-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-(2-ethylimidazol-1-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID81224764
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name5-(2-ethylimidazol-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCCc1nccn1-c1cccc2c1CCCN2
InChIInChI=1S/C14H17N3/c1-2-14-16-9-10-17(14)13-7-3-6-12-11(13)5-4-8-15-12/h3,6-7,9-10,15H,2,4-5,8H2,1H3
InChIKeyLDDXCVGKHCXQSU-UHFFFAOYSA-N
XLogP2.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylimidazol-1-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-(2-ethylimidazol-1-yl)-1,2,3,4-tetrahydroquinoline (CID 81224764) is 5-(2-ethylimidazol-1-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-(2-ethylimidazol-1-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-(2-ethylimidazol-1-yl)-1,2,3,4-tetrahydroquinoline is CCc1nccn1-c1cccc2c1CCCN2.
What is the InChIKey of 5-(2-ethylimidazol-1-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is LDDXCVGKHCXQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-14-16-9-10-17(14)13-7-3-6-12-11(13)5-4-8-15-12/h3,6-7,9-10,15H,2,4-5,8H2,1H3.
What are the key properties of 5-(2-ethylimidazol-1-yl)-1,2,3,4-tetrahydroquinoline?
5-(2-ethylimidazol-1-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 227.31 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylimidazol-1-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 81224764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).