3-butyl-5-(5-chloroquinolin-8-yl)imidazol-4-amine

C16H17ClN4 — CID 115960233

IUPAC3-butyl-5-(5-chloroquinolin-8-yl)imidazol-4-amine
SMILESCCCCn1cnc(-c2ccc(Cl)c3cccnc23)c1N
InChIInChI=1S/C16H17ClN4/c1-2-3-9-21-10-20-15(16(21)18)12-6-7-13(17)11-5-4-8-19-14(11)12/h4-8,10H,2-3,9,18H2,1H3
InChIKeyHWUQPYZVBNPLON-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.13
Rot. Bonds4

About 3-butyl-5-(5-chloroquinolin-8-yl)imidazol-4-amine

3-butyl-5-(5-chloroquinolin-8-yl)imidazol-4-amine (PubChem CID 115960233) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is 3-butyl-5-(5-chloroquinolin-8-yl)imidazol-4-amine.

Molecular Properties

Compound Name3-butyl-5-(5-chloroquinolin-8-yl)imidazol-4-amine
PubChem CID115960233
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC Name3-butyl-5-(5-chloroquinolin-8-yl)imidazol-4-amine
SMILESCCCCn1cnc(-c2ccc(Cl)c3cccnc23)c1N
InChIInChI=1S/C16H17ClN4/c1-2-3-9-21-10-20-15(16(21)18)12-6-7-13(17)11-5-4-8-19-14(11)12/h4-8,10H,2-3,9,18H2,1H3
InChIKeyHWUQPYZVBNPLON-UHFFFAOYSA-N
XLogP4.13
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-(5-chloroquinolin-8-yl)imidazol-4-amine?
The IUPAC name of 3-butyl-5-(5-chloroquinolin-8-yl)imidazol-4-amine (CID 115960233) is 3-butyl-5-(5-chloroquinolin-8-yl)imidazol-4-amine.
What is the SMILES notation for 3-butyl-5-(5-chloroquinolin-8-yl)imidazol-4-amine?
The canonical SMILES for 3-butyl-5-(5-chloroquinolin-8-yl)imidazol-4-amine is CCCCn1cnc(-c2ccc(Cl)c3cccnc23)c1N.
What is the InChIKey of 3-butyl-5-(5-chloroquinolin-8-yl)imidazol-4-amine?
The InChIKey is HWUQPYZVBNPLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4/c1-2-3-9-21-10-20-15(16(21)18)12-6-7-13(17)11-5-4-8-19-14(11)12/h4-8,10H,2-3,9,18H2,1H3.
What are the key properties of 3-butyl-5-(5-chloroquinolin-8-yl)imidazol-4-amine?
3-butyl-5-(5-chloroquinolin-8-yl)imidazol-4-amine has a molecular weight of 300.79 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-(5-chloroquinolin-8-yl)imidazol-4-amine is sourced from PubChem (CID 115960233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).