5-(5-chloroquinolin-8-yl)-2,3-diethylimidazol-4-amine

C16H17ClN4 — CID 115960255

IUPAC5-(5-chloroquinolin-8-yl)-2,3-diethylimidazol-4-amine
SMILESCCc1nc(-c2ccc(Cl)c3cccnc23)c(N)n1CC
InChIInChI=1S/C16H17ClN4/c1-3-13-20-15(16(18)21(13)4-2)11-7-8-12(17)10-6-5-9-19-14(10)11/h5-9H,3-4,18H2,1-2H3
InChIKeyREOLLHADBCNJFB-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.92
Rot. Bonds3

About 5-(5-chloroquinolin-8-yl)-2,3-diethylimidazol-4-amine

5-(5-chloroquinolin-8-yl)-2,3-diethylimidazol-4-amine (PubChem CID 115960255) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is 5-(5-chloroquinolin-8-yl)-2,3-diethylimidazol-4-amine.

Molecular Properties

Compound Name5-(5-chloroquinolin-8-yl)-2,3-diethylimidazol-4-amine
PubChem CID115960255
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC Name5-(5-chloroquinolin-8-yl)-2,3-diethylimidazol-4-amine
SMILESCCc1nc(-c2ccc(Cl)c3cccnc23)c(N)n1CC
InChIInChI=1S/C16H17ClN4/c1-3-13-20-15(16(18)21(13)4-2)11-7-8-12(17)10-6-5-9-19-14(10)11/h5-9H,3-4,18H2,1-2H3
InChIKeyREOLLHADBCNJFB-UHFFFAOYSA-N
XLogP3.92
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chlorophenyl)-2,3-diethylimidazol-4-amine
CID 55049007
3-butyl-5-(5-chloroquinolin-8-yl)imidazol-4-amine
CID 115960233
2,3-diethyl-5-(6-methyl-3-pyridinyl)imidazol-4-amine
CID 113457242
5-(3,5-dichlorophenyl)-2,3-diethylimidazol-4-amine
CID 62226580
aluminum tris(5-chloroquinolin-8-olate)
CID 67131824
2-(5-chloroquinolin-8-yl)-5-fluoro-6-methylpyrimidin-4-amine
CID 115960312
3-butyl-5-(2,3-dichlorophenyl)-2-ethylimidazol-4-amine
CID 63468358
2,3-diethyl-5-(3-methylphenyl)imidazol-4-amine
CID 62225267
2,3-diethyl-5-naphthalen-2-ylimidazol-4-amine
CID 62225265
5-(2-bromo-5-fluorophenyl)-2,3-diethylimidazol-4-amine
CID 114078062
2-propyl-4-quinolin-8-ylimidazole-1,5-diamine
CID 63970149
5-(5-chloroquinolin-8-yl)-N-ethyl-1,3-thiazol-2-amine
CID 116811986

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloroquinolin-8-yl)-2,3-diethylimidazol-4-amine?
The IUPAC name of 5-(5-chloroquinolin-8-yl)-2,3-diethylimidazol-4-amine (CID 115960255) is 5-(5-chloroquinolin-8-yl)-2,3-diethylimidazol-4-amine.
What is the SMILES notation for 5-(5-chloroquinolin-8-yl)-2,3-diethylimidazol-4-amine?
The canonical SMILES for 5-(5-chloroquinolin-8-yl)-2,3-diethylimidazol-4-amine is CCc1nc(-c2ccc(Cl)c3cccnc23)c(N)n1CC.
What is the InChIKey of 5-(5-chloroquinolin-8-yl)-2,3-diethylimidazol-4-amine?
The InChIKey is REOLLHADBCNJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4/c1-3-13-20-15(16(18)21(13)4-2)11-7-8-12(17)10-6-5-9-19-14(10)11/h5-9H,3-4,18H2,1-2H3.
What are the key properties of 5-(5-chloroquinolin-8-yl)-2,3-diethylimidazol-4-amine?
5-(5-chloroquinolin-8-yl)-2,3-diethylimidazol-4-amine has a molecular weight of 300.79 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloroquinolin-8-yl)-2,3-diethylimidazol-4-amine is sourced from PubChem (CID 115960255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).