O-[3-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propyl]hydroxylamine

C16H20BrN5O — CID 68539386

IUPACO-[3-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propyl]hydroxylamine
SMILESCCCc1nc2c(N)nc3cc(Br)ccc3c2n1CCCON
InChIInChI=1S/C16H20BrN5O/c1-2-4-13-21-14-15(22(13)7-3-8-23-19)11-6-5-10(17)9-12(11)20-16(14)18/h5-6,9H,2-4,7-8,19H2,1H3,(H2,18,20)
InChIKeyKWPLRHYNZDYUGO-UHFFFAOYSA-N
MW378.27 g/mol
LogP3.16
Rot. Bonds6

About O-[3-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propyl]hydroxylamine

O-[3-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propyl]hydroxylamine (PubChem CID 68539386) has the molecular formula C16H20BrN5O and a molecular weight of 378.27 g/mol. Its IUPAC name is O-[3-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propyl]hydroxylamine.

Molecular Properties

Compound NameO-[3-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propyl]hydroxylamine
PubChem CID68539386
Molecular FormulaC16H20BrN5O
Molecular Weight378.27 g/mol
Exact Mass377.09
IUPAC NameO-[3-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propyl]hydroxylamine
SMILESCCCc1nc2c(N)nc3cc(Br)ccc3c2n1CCCON
InChIInChI=1S/C16H20BrN5O/c1-2-4-13-21-14-15(22(13)7-3-8-23-19)11-6-5-10(17)9-12(11)20-16(14)18/h5-6,9H,2-4,7-8,19H2,1H3,(H2,18,20)
InChIKeyKWPLRHYNZDYUGO-UHFFFAOYSA-N
XLogP3.16
TPSA91.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-N-methoxyacetamide
CID 87867662
7-bromo-1-N-propan-2-yl-2-propylimidazo[4,5-c]quinoline-1,4-diamine
CID 69177518
1-butyl-2-propyl-7-pyridin-3-ylimidazo[4,5-c]quinolin-4-amine
CID 173204364
1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 22320471
7-(3-aminopropoxy)-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 58833712
4-[4-amino-7-bromo-2-[[ethyl(methyl)amino]methyl]imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylbutanamide
CID 146561403
tert-butyl N-[[4-amino-7-bromo-1-(2-butoxyethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate
CID 165149760
4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid
CID 141281240
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
tert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate
CID 137498142
1-[4-[methoxy(methylsulfanyl)amino]butyl]-2-propylimidazo[4,5-c]quinolin-4-amine
CID 143056437
2-butyl-1-[4-(ethylaminooxy)butyl]imidazo[4,5-c]quinolin-4-amine;ethane
CID 143008375

Frequently Asked Questions

What is the IUPAC name of O-[3-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propyl]hydroxylamine?
The IUPAC name of O-[3-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propyl]hydroxylamine (CID 68539386) is O-[3-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propyl]hydroxylamine.
What is the SMILES notation for O-[3-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propyl]hydroxylamine?
The canonical SMILES for O-[3-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propyl]hydroxylamine is CCCc1nc2c(N)nc3cc(Br)ccc3c2n1CCCON.
What is the InChIKey of O-[3-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propyl]hydroxylamine?
The InChIKey is KWPLRHYNZDYUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN5O/c1-2-4-13-21-14-15(22(13)7-3-8-23-19)11-6-5-10(17)9-12(11)20-16(14)18/h5-6,9H,2-4,7-8,19H2,1H3,(H2,18,20).
What are the key properties of O-[3-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propyl]hydroxylamine?
O-[3-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propyl]hydroxylamine has a molecular weight of 378.27 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for O-[3-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propyl]hydroxylamine is sourced from PubChem (CID 68539386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).