5-(2-imidazol-1-ylethyl)-7,8-dihydroquinoline

C14H15N3 — CID 10561174

IUPAC5-(2-imidazol-1-ylethyl)-7,8-dihydroquinoline
SMILESC1=C(CCn2ccnc2)c2cccnc2CC1
InChIInChI=1S/C14H15N3/c1-3-12(6-9-17-10-8-15-11-17)13-4-2-7-16-14(13)5-1/h2-4,7-8,10-11H,1,5-6,9H2
InChIKeyDJMSMHXCSIBVSA-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.70
Rot. Bonds3

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

5-(2-imidazol-1-ylethyl)-7,8-dihydroquinoline (PubChem CID 10561174) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 5-(2-imidazol-1-ylethyl)-7,8-dihydroquinoline.

Molecular Properties

Compound Name5-(2-imidazol-1-ylethyl)-7,8-dihydroquinoline
PubChem CID10561174
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name5-(2-imidazol-1-ylethyl)-7,8-dihydroquinoline
SMILESC1=C(CCn2ccnc2)c2cccnc2CC1
InChIInChI=1S/C14H15N3/c1-3-12(6-9-17-10-8-15-11-17)13-4-2-7-16-14(13)5-1/h2-4,7-8,10-11H,1,5-6,9H2
InChIKeyDJMSMHXCSIBVSA-UHFFFAOYSA-N
XLogP2.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.70
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)-7,8-dihydroquinoline?
The IUPAC name of 5-(2-imidazol-1-ylethyl)-7,8-dihydroquinoline (CID 10561174) is 5-(2-imidazol-1-ylethyl)-7,8-dihydroquinoline.
What is the SMILES notation for 5-(2-imidazol-1-ylethyl)-7,8-dihydroquinoline?
The canonical SMILES for 5-(2-imidazol-1-ylethyl)-7,8-dihydroquinoline is C1=C(CCn2ccnc2)c2cccnc2CC1.
What is the InChIKey of 5-(2-imidazol-1-ylethyl)-7,8-dihydroquinoline?
The InChIKey is DJMSMHXCSIBVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-3-12(6-9-17-10-8-15-11-17)13-4-2-7-16-14(13)5-1/h2-4,7-8,10-11H,1,5-6,9H2.
What are the key properties of 5-(2-imidazol-1-ylethyl)-7,8-dihydroquinoline?
5-(2-imidazol-1-ylethyl)-7,8-dihydroquinoline has a molecular weight of 225.30 g/mol, XLogP of 2.70, 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)-7,8-dihydroquinoline is sourced from PubChem (CID 10561174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).