5-(imidazol-1-ylmethyl)-7,8-dihydroquinoline

C13H13N3 — CID 10774864

IUPAC5-(imidazol-1-ylmethyl)-7,8-dihydroquinoline
SMILESC1=C(Cn2ccnc2)c2cccnc2CC1
InChIInChI=1S/C13H13N3/c1-3-11(9-16-8-7-14-10-16)12-4-2-6-15-13(12)5-1/h2-4,6-8,10H,1,5,9H2
InChIKeyDVAOHPCQHIOCSM-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.31
Rot. Bonds2

About 5-(imidazol-1-ylmethyl)-7,8-dihydroquinoline

5-(imidazol-1-ylmethyl)-7,8-dihydroquinoline (PubChem CID 10774864) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 5-(imidazol-1-ylmethyl)-7,8-dihydroquinoline.

Molecular Properties

Compound Name5-(imidazol-1-ylmethyl)-7,8-dihydroquinoline
PubChem CID10774864
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name5-(imidazol-1-ylmethyl)-7,8-dihydroquinoline
SMILESC1=C(Cn2ccnc2)c2cccnc2CC1
InChIInChI=1S/C13H13N3/c1-3-11(9-16-8-7-14-10-16)12-4-2-6-15-13(12)5-1/h2-4,6-8,10H,1,5,9H2
InChIKeyDVAOHPCQHIOCSM-UHFFFAOYSA-N
XLogP2.31
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(imidazol-1-ylmethyl)-7,8-dihydroquinoline?
The IUPAC name of 5-(imidazol-1-ylmethyl)-7,8-dihydroquinoline (CID 10774864) is 5-(imidazol-1-ylmethyl)-7,8-dihydroquinoline.
What is the SMILES notation for 5-(imidazol-1-ylmethyl)-7,8-dihydroquinoline?
The canonical SMILES for 5-(imidazol-1-ylmethyl)-7,8-dihydroquinoline is C1=C(Cn2ccnc2)c2cccnc2CC1.
What is the InChIKey of 5-(imidazol-1-ylmethyl)-7,8-dihydroquinoline?
The InChIKey is DVAOHPCQHIOCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-3-11(9-16-8-7-14-10-16)12-4-2-6-15-13(12)5-1/h2-4,6-8,10H,1,5,9H2.
What are the key properties of 5-(imidazol-1-ylmethyl)-7,8-dihydroquinoline?
5-(imidazol-1-ylmethyl)-7,8-dihydroquinoline has a molecular weight of 211.27 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(imidazol-1-ylmethyl)-7,8-dihydroquinoline is sourced from PubChem (CID 10774864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).