6-(imidazol-1-ylmethyl)-8-phenylquinoline

C19H15N3 — CID 10565073

IUPAC6-(imidazol-1-ylmethyl)-8-phenylquinoline
SMILESc1ccc(-c2cc(Cn3ccnc3)cc3cccnc23)cc1
InChIInChI=1S/C19H15N3/c1-2-5-16(6-3-1)18-12-15(13-22-10-9-20-14-22)11-17-7-4-8-21-19(17)18/h1-12,14H,13H2
InChIKeyPBPLGORPOONLEQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.15
Rot. Bonds3

About 6-(imidazol-1-ylmethyl)-8-phenylquinoline

6-(imidazol-1-ylmethyl)-8-phenylquinoline (PubChem CID 10565073) has the molecular formula C19H15N3 and a molecular weight of 285.35 g/mol. Its IUPAC name is 6-(imidazol-1-ylmethyl)-8-phenylquinoline.

Molecular Properties

Compound Name6-(imidazol-1-ylmethyl)-8-phenylquinoline
PubChem CID10565073
Molecular FormulaC19H15N3
Molecular Weight285.35 g/mol
Exact Mass285.13
IUPAC Name6-(imidazol-1-ylmethyl)-8-phenylquinoline
SMILESc1ccc(-c2cc(Cn3ccnc3)cc3cccnc23)cc1
InChIInChI=1S/C19H15N3/c1-2-5-16(6-3-1)18-12-15(13-22-10-9-20-14-22)11-17-7-4-8-21-19(17)18/h1-12,14H,13H2
InChIKeyPBPLGORPOONLEQ-UHFFFAOYSA-N
XLogP4.15
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(imidazol-1-ylmethyl)-8-phenylquinoline?
The IUPAC name of 6-(imidazol-1-ylmethyl)-8-phenylquinoline (CID 10565073) is 6-(imidazol-1-ylmethyl)-8-phenylquinoline.
What is the SMILES notation for 6-(imidazol-1-ylmethyl)-8-phenylquinoline?
The canonical SMILES for 6-(imidazol-1-ylmethyl)-8-phenylquinoline is c1ccc(-c2cc(Cn3ccnc3)cc3cccnc23)cc1.
What is the InChIKey of 6-(imidazol-1-ylmethyl)-8-phenylquinoline?
The InChIKey is PBPLGORPOONLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3/c1-2-5-16(6-3-1)18-12-15(13-22-10-9-20-14-22)11-17-7-4-8-21-19(17)18/h1-12,14H,13H2.
What are the key properties of 6-(imidazol-1-ylmethyl)-8-phenylquinoline?
6-(imidazol-1-ylmethyl)-8-phenylquinoline has a molecular weight of 285.35 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(imidazol-1-ylmethyl)-8-phenylquinoline is sourced from PubChem (CID 10565073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).