8-[1H-imidazol-5-yl(pyridin-2-yl)methyl]quinoline

C18H14N4 — CID 59419672

IUPAC8-[1H-imidazol-5-yl(pyridin-2-yl)methyl]quinoline
SMILESc1ccc(C(c2cnc[nH]2)c2cccc3cccnc23)nc1
InChIInChI=1S/C18H14N4/c1-2-9-20-15(8-1)17(16-11-19-12-22-16)14-7-3-5-13-6-4-10-21-18(13)14/h1-12,17H,(H,19,22)
InChIKeyNPPPWXZCKGVIHE-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.53
Rot. Bonds3

About 8-[1H-imidazol-5-yl(pyridin-2-yl)methyl]quinoline

8-[1H-imidazol-5-yl(pyridin-2-yl)methyl]quinoline (PubChem CID 59419672) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 8-[1H-imidazol-5-yl(pyridin-2-yl)methyl]quinoline.

Molecular Properties

Compound Name8-[1H-imidazol-5-yl(pyridin-2-yl)methyl]quinoline
PubChem CID59419672
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name8-[1H-imidazol-5-yl(pyridin-2-yl)methyl]quinoline
SMILESc1ccc(C(c2cnc[nH]2)c2cccc3cccnc23)nc1
InChIInChI=1S/C18H14N4/c1-2-9-20-15(8-1)17(16-11-19-12-22-16)14-7-3-5-13-6-4-10-21-18(13)14/h1-12,17H,(H,19,22)
InChIKeyNPPPWXZCKGVIHE-UHFFFAOYSA-N
XLogP3.53
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-[1H-imidazol-5-yl(phenyl)methyl]quinoline
CID 25122151
2-[(2-fluorophenyl)-(1H-imidazol-5-yl)methyl]pyridine
CID 25121753
8-[pyridin-3-yl(1H-pyrrol-2-yl)methyl]quinoline
CID 59419682
1H-imidazol-5-yl(naphthalen-1-yl)methanol
CID 10376336
[2-(1H-imidazol-5-yl)-1-quinolin-8-ylethyl] formate
CID 174671124
quinolin-8-yl(1,2,5-thiadiazol-3-yl)methanol
CID 105118765
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
8-(dichloromethyl)quinoline
CID 19989328
N-[4-[1H-imidazol-5-yl(pyridin-2-yl)methyl]benzene-6-id-1-yl]methanimine;uranium(2+)
CID 163902699
4-[(2-fluorophenyl)-(1H-imidazol-5-yl)methyl]pyridine
CID 25121755
2-[(3-chloro-2-methylphenyl)-(1H-imidazol-5-yl)methyl]pyridine;4-[(3-chloro-2-methylphenyl)-(1H-imidazol-5-yl)methyl]pyridine;2-[(2,3-dichlorophenyl)-(1H-imidazol-5-yl)methyl]pyridine;3-[(2,3-dichlorophenyl)-(1H-imidazol-5-yl)methyl]pyridine;4-[(2,3-dichlorophenyl)-(1H-imidazol-5-yl)methyl]pyridine;2-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]pyridine;2-[(3-fluoro-2-methylphenyl)-(1H-imidazol-5-yl)methyl]pyridine;4-[(3-fluoro-2-methylphenyl)-(1H-imidazol-5-yl)methyl]pyridine;3-[[2-fluoro-3-(trifluoromethyl)phenyl]-(1H-imidazol-5-yl)methyl]pyridine;4-[[2-fluoro-3-(trifluoromethyl)phenyl]-(1H-imidazol-5-yl)methyl]pyridine
CID 158499669
(6-methoxypyridazin-3-yl)-quinolin-8-ylmethanamine
CID 103373778

Frequently Asked Questions

What is the IUPAC name of 8-[1H-imidazol-5-yl(pyridin-2-yl)methyl]quinoline?
The IUPAC name of 8-[1H-imidazol-5-yl(pyridin-2-yl)methyl]quinoline (CID 59419672) is 8-[1H-imidazol-5-yl(pyridin-2-yl)methyl]quinoline.
What is the SMILES notation for 8-[1H-imidazol-5-yl(pyridin-2-yl)methyl]quinoline?
The canonical SMILES for 8-[1H-imidazol-5-yl(pyridin-2-yl)methyl]quinoline is c1ccc(C(c2cnc[nH]2)c2cccc3cccnc23)nc1.
What is the InChIKey of 8-[1H-imidazol-5-yl(pyridin-2-yl)methyl]quinoline?
The InChIKey is NPPPWXZCKGVIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-2-9-20-15(8-1)17(16-11-19-12-22-16)14-7-3-5-13-6-4-10-21-18(13)14/h1-12,17H,(H,19,22).
What are the key properties of 8-[1H-imidazol-5-yl(pyridin-2-yl)methyl]quinoline?
8-[1H-imidazol-5-yl(pyridin-2-yl)methyl]quinoline has a molecular weight of 286.34 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1H-imidazol-5-yl(pyridin-2-yl)methyl]quinoline is sourced from PubChem (CID 59419672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).