2-(aminomethyl)-1-[4-[methyl(oxan-4-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine

C21H30N6O — CID 167045867

IUPAC2-(aminomethyl)-1-[4-[methyl(oxan-4-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine
SMILESCN(CCCCn1c(CN)nc2c(N)nc3ccccc3c21)C1CCOCC1
InChIInChI=1S/C21H30N6O/c1-26(15-8-12-28-13-9-15)10-4-5-11-27-18(14-22)25-19-20(27)16-6-2-3-7-17(16)24-21(19)23/h2-3,6-7,15H,4-5,8-14,22H2,1H3,(H2,23,24)
InChIKeyKJCXLLMCPDIORV-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.52
Rot. Bonds7

About 2-(aminomethyl)-1-[4-[methyl(oxan-4-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine

2-(aminomethyl)-1-[4-[methyl(oxan-4-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 167045867) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-(aminomethyl)-1-[4-[methyl(oxan-4-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)-1-[4-[methyl(oxan-4-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine
PubChem CID167045867
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name2-(aminomethyl)-1-[4-[methyl(oxan-4-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine
SMILESCN(CCCCn1c(CN)nc2c(N)nc3ccccc3c21)C1CCOCC1
InChIInChI=1S/C21H30N6O/c1-26(15-8-12-28-13-9-15)10-4-5-11-27-18(14-22)25-19-20(27)16-6-2-3-7-17(16)24-21(19)23/h2-3,6-7,15H,4-5,8-14,22H2,1H3,(H2,23,24)
InChIKeyKJCXLLMCPDIORV-UHFFFAOYSA-N
XLogP2.52
TPSA95.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-1-[4-[methyl(thietan-3-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine
CID 138461549
N-[4-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(2-methyloxolan-3-yl)acetamide
CID 155174989
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
1-(4-cyclohexylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine
CID 10237391
1-[4-[methoxy(methylsulfanyl)amino]butyl]-2-propylimidazo[4,5-c]quinolin-4-amine
CID 143056437
2-butyl-1-[4-[(4-ethylphenyl)methyl-methylamino]butyl]imidazo[4,5-c]quinolin-4-amine
CID 167298983
1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 22320471
2-butyl-1-(4-tert-butylsulfanylbutyl)imidazo[4,5-c]quinolin-4-amine
CID 10287302
4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-morpholin-4-ylbutan-1-one
CID 57447015
2-ethyl-1-propylimidazo[4,5-c]quinolin-4-amine
CID 143008317
1-(3-aminopropyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 22344434
N-[3-[4-amino-2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]propyl]morpholine-4-carboxamide
CID 11856661

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-[4-[methyl(oxan-4-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-(aminomethyl)-1-[4-[methyl(oxan-4-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine (CID 167045867) is 2-(aminomethyl)-1-[4-[methyl(oxan-4-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-(aminomethyl)-1-[4-[methyl(oxan-4-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-(aminomethyl)-1-[4-[methyl(oxan-4-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine is CN(CCCCn1c(CN)nc2c(N)nc3ccccc3c21)C1CCOCC1.
What is the InChIKey of 2-(aminomethyl)-1-[4-[methyl(oxan-4-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is KJCXLLMCPDIORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-26(15-8-12-28-13-9-15)10-4-5-11-27-18(14-22)25-19-20(27)16-6-2-3-7-17(16)24-21(19)23/h2-3,6-7,15H,4-5,8-14,22H2,1H3,(H2,23,24).
What are the key properties of 2-(aminomethyl)-1-[4-[methyl(oxan-4-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine?
2-(aminomethyl)-1-[4-[methyl(oxan-4-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 382.51 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-[4-[methyl(oxan-4-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 167045867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).