N-[4-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-N-methoxyacetamide

C20H26BrN5O2 — CID 87867662

IUPACN-[4-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-N-methoxyacetamide
SMILESCCCc1nc2c(N)nc3cc(Br)ccc3c2n1CCCCN(OC)C(C)=O
InChIInChI=1S/C20H26BrN5O2/c1-4-7-17-24-18-19(15-9-8-14(21)12-16(15)23-20(18)22)25(17)10-5-6-11-26(28-3)13(2)27/h8-9,12H,4-7,10-11H2,1-3H3,(H2,22,23)
InChIKeyXLANJEOSRUOLDG-UHFFFAOYSA-N
MW448.37 g/mol
LogP4.07
Rot. Bonds8

About N-[4-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-N-methoxyacetamide

N-[4-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-N-methoxyacetamide (PubChem CID 87867662) has the molecular formula C20H26BrN5O2 and a molecular weight of 448.37 g/mol. Its IUPAC name is N-[4-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-N-methoxyacetamide.

Molecular Properties

Compound NameN-[4-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-N-methoxyacetamide
PubChem CID87867662
Molecular FormulaC20H26BrN5O2
Molecular Weight448.37 g/mol
Exact Mass447.13
IUPAC NameN-[4-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-N-methoxyacetamide
SMILESCCCc1nc2c(N)nc3cc(Br)ccc3c2n1CCCCN(OC)C(C)=O
InChIInChI=1S/C20H26BrN5O2/c1-4-7-17-24-18-19(15-9-8-14(21)12-16(15)23-20(18)22)25(17)10-5-6-11-26(28-3)13(2)27/h8-9,12H,4-7,10-11H2,1-3H3,(H2,22,23)
InChIKeyXLANJEOSRUOLDG-UHFFFAOYSA-N
XLogP4.07
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
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

1-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxyurea
CID 58869094
O-[3-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propyl]hydroxylamine
CID 68539386
1-[4-[methoxy(methylsulfanyl)amino]butyl]-2-propylimidazo[4,5-c]quinolin-4-amine
CID 143056437
4-[4-amino-7-bromo-2-[[ethyl(methyl)amino]methyl]imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylbutanamide
CID 146561403
N-[4-(4-amino-2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-N-methoxybenzamide
CID 58869112
methyl 4-amino-2-butyl-1-[2-(dimethylamino)ethyl]imidazo[4,5-c]quinoline-7-carboxylate
CID 171647408
4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid
CID 141281240
methyl 4-amino-2-butyl-1-(4-methoxy-4-oxobutyl)imidazo[4,5-c]quinoline-7-carboxylate
CID 130289627
methyl 4-amino-2-butyl-1-(5-methoxy-5-oxopentyl)imidazo[4,5-c]quinoline-7-carboxylate
CID 130289685
tert-butyl N-[4-(4-amino-6,7-dimethyl-2-propylimidazo[4,5-c]pyridin-1-yl)butyl]-N-methoxycarbamate
CID 58869074
7-bromo-1-N-propan-2-yl-2-propylimidazo[4,5-c]quinoline-1,4-diamine
CID 69177518
1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 22320471

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-N-methoxyacetamide?
The IUPAC name of N-[4-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-N-methoxyacetamide (CID 87867662) is N-[4-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-N-methoxyacetamide.
What is the SMILES notation for N-[4-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-N-methoxyacetamide?
The canonical SMILES for N-[4-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-N-methoxyacetamide is CCCc1nc2c(N)nc3cc(Br)ccc3c2n1CCCCN(OC)C(C)=O.
What is the InChIKey of N-[4-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-N-methoxyacetamide?
The InChIKey is XLANJEOSRUOLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrN5O2/c1-4-7-17-24-18-19(15-9-8-14(21)12-16(15)23-20(18)22)25(17)10-5-6-11-26(28-3)13(2)27/h8-9,12H,4-7,10-11H2,1-3H3,(H2,22,23).
What are the key properties of N-[4-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-N-methoxyacetamide?
N-[4-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-N-methoxyacetamide has a molecular weight of 448.37 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-N-methoxyacetamide is sourced from PubChem (CID 87867662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).