N-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propan-2-imine

C16H17BrN4 — CID 21075800

IUPACN-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propan-2-imine
SMILESCCCc1nc2cnc3cc(Br)ccc3c2n1N=C(C)C
InChIInChI=1S/C16H17BrN4/c1-4-5-15-19-14-9-18-13-8-11(17)6-7-12(13)16(14)21(15)20-10(2)3/h6-9H,4-5H2,1-3H3
InChIKeyGEQGFAOKJYPPMU-UHFFFAOYSA-N
MW345.24 g/mol
LogP4.54
Rot. Bonds3

About N-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propan-2-imine

N-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propan-2-imine (PubChem CID 21075800) has the molecular formula C16H17BrN4 and a molecular weight of 345.24 g/mol. Its IUPAC name is N-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propan-2-imine.

Molecular Properties

Compound NameN-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propan-2-imine
PubChem CID21075800
Molecular FormulaC16H17BrN4
Molecular Weight345.24 g/mol
Exact Mass344.06
IUPAC NameN-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propan-2-imine
SMILESCCCc1nc2cnc3cc(Br)ccc3c2n1N=C(C)C
InChIInChI=1S/C16H17BrN4/c1-4-5-15-19-14-9-18-13-8-11(17)6-7-12(13)16(14)21(15)20-10(2)3/h6-9H,4-5H2,1-3H3
InChIKeyGEQGFAOKJYPPMU-UHFFFAOYSA-N
XLogP4.54
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propan-2-imine?
The IUPAC name of N-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propan-2-imine (CID 21075800) is N-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propan-2-imine.
What is the SMILES notation for N-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propan-2-imine?
The canonical SMILES for N-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propan-2-imine is CCCc1nc2cnc3cc(Br)ccc3c2n1N=C(C)C.
What is the InChIKey of N-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propan-2-imine?
The InChIKey is GEQGFAOKJYPPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4/c1-4-5-15-19-14-9-18-13-8-11(17)6-7-12(13)16(14)21(15)20-10(2)3/h6-9H,4-5H2,1-3H3.
What are the key properties of N-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propan-2-imine?
N-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propan-2-imine has a molecular weight of 345.24 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propan-2-imine is sourced from PubChem (CID 21075800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).