2-butyl-1-[4-(methoxyamino)pent-3-enyl]imidazo[4,5-c]quinolin-4-amine

C20H27N5O — CID 90787884

IUPAC2-butyl-1-[4-(methoxyamino)pent-3-enyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCC=C(C)NOC
InChIInChI=1S/C20H27N5O/c1-4-5-12-17-23-18-19(25(17)13-8-9-14(2)24-26-3)15-10-6-7-11-16(15)22-20(18)21/h6-7,9-11,24H,4-5,8,12-13H2,1-3H3,(H2,21,22)
InChIKeyFIAYVLFQCROJAK-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.95
Rot. Bonds8

About 2-butyl-1-[4-(methoxyamino)pent-3-enyl]imidazo[4,5-c]quinolin-4-amine

2-butyl-1-[4-(methoxyamino)pent-3-enyl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 90787884) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-butyl-1-[4-(methoxyamino)pent-3-enyl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-butyl-1-[4-(methoxyamino)pent-3-enyl]imidazo[4,5-c]quinolin-4-amine
PubChem CID90787884
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name2-butyl-1-[4-(methoxyamino)pent-3-enyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCC=C(C)NOC
InChIInChI=1S/C20H27N5O/c1-4-5-12-17-23-18-19(25(17)13-8-9-14(2)24-26-3)15-10-6-7-11-16(15)22-20(18)21/h6-7,9-11,24H,4-5,8,12-13H2,1-3H3,(H2,21,22)
InChIKeyFIAYVLFQCROJAK-UHFFFAOYSA-N
XLogP3.95
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
2-butyl-1-[(4Z)-4-methoxyiminobutyl]imidazo[4,5-c]quinolin-4-amine
CID 87867716
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
2-butyl-1-[4-(ethylaminooxy)butyl]imidazo[4,5-c]quinolin-4-amine;ethane
CID 143008375
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
CID 23512725
methyl 2-[4-[[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propylamino]methyl]phenyl]acetate
CID 25106601
4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[7-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)heptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 163909468
2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]guanidine;hydrochloride
CID 126650986
4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-4-oxobutanoic acid
CID 135137543
7-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-aminooxyheptan-2-one
CID 165105323
1-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-3-benzylurea
CID 18616841
1-butyl-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-4-amine
CID 175027745

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-[4-(methoxyamino)pent-3-enyl]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-butyl-1-[4-(methoxyamino)pent-3-enyl]imidazo[4,5-c]quinolin-4-amine (CID 90787884) is 2-butyl-1-[4-(methoxyamino)pent-3-enyl]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-butyl-1-[4-(methoxyamino)pent-3-enyl]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-butyl-1-[4-(methoxyamino)pent-3-enyl]imidazo[4,5-c]quinolin-4-amine is CCCCc1nc2c(N)nc3ccccc3c2n1CCC=C(C)NOC.
What is the InChIKey of 2-butyl-1-[4-(methoxyamino)pent-3-enyl]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is FIAYVLFQCROJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-4-5-12-17-23-18-19(25(17)13-8-9-14(2)24-26-3)15-10-6-7-11-16(15)22-20(18)21/h6-7,9-11,24H,4-5,8,12-13H2,1-3H3,(H2,21,22).
What are the key properties of 2-butyl-1-[4-(methoxyamino)pent-3-enyl]imidazo[4,5-c]quinolin-4-amine?
2-butyl-1-[4-(methoxyamino)pent-3-enyl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 353.47 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-[4-(methoxyamino)pent-3-enyl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 90787884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).