5-(2-imidazol-1-ylethyl)-5,6,7,8-tetrahydroquinoline

C14H17N3 — CID 10036693

IUPAC5-(2-imidazol-1-ylethyl)-5,6,7,8-tetrahydroquinoline
SMILESc1cnc2c(c1)C(CCn1ccnc1)CCC2
InChIInChI=1S/C14H17N3/c1-3-12(6-9-17-10-8-15-11-17)13-4-2-7-16-14(13)5-1/h2,4,7-8,10-12H,1,3,5-6,9H2
InChIKeyVPDLANZEXFQJSQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.79
Rot. Bonds3

About 5-(2-imidazol-1-ylethyl)-5,6,7,8-tetrahydroquinoline

5-(2-imidazol-1-ylethyl)-5,6,7,8-tetrahydroquinoline (PubChem CID 10036693) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 5-(2-imidazol-1-ylethyl)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name5-(2-imidazol-1-ylethyl)-5,6,7,8-tetrahydroquinoline
PubChem CID10036693
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name5-(2-imidazol-1-ylethyl)-5,6,7,8-tetrahydroquinoline
SMILESc1cnc2c(c1)C(CCn1ccnc1)CCC2
InChIInChI=1S/C14H17N3/c1-3-12(6-9-17-10-8-15-11-17)13-4-2-7-16-14(13)5-1/h2,4,7-8,10-12H,1,3,5-6,9H2
InChIKeyVPDLANZEXFQJSQ-UHFFFAOYSA-N
XLogP2.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-imidazol-1-ylethyl)-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 5-(2-imidazol-1-ylethyl)-5,6,7,8-tetrahydroquinoline (CID 10036693) is 5-(2-imidazol-1-ylethyl)-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 5-(2-imidazol-1-ylethyl)-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 5-(2-imidazol-1-ylethyl)-5,6,7,8-tetrahydroquinoline is c1cnc2c(c1)C(CCn1ccnc1)CCC2.
What is the InChIKey of 5-(2-imidazol-1-ylethyl)-5,6,7,8-tetrahydroquinoline?
The InChIKey is VPDLANZEXFQJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-3-12(6-9-17-10-8-15-11-17)13-4-2-7-16-14(13)5-1/h2,4,7-8,10-12H,1,3,5-6,9H2.
What are the key properties of 5-(2-imidazol-1-ylethyl)-5,6,7,8-tetrahydroquinoline?
5-(2-imidazol-1-ylethyl)-5,6,7,8-tetrahydroquinoline has a molecular weight of 227.31 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-imidazol-1-ylethyl)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 10036693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).