1-[4-(benzylamino)butyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine

C24H29N5O — CID 67519559

IUPAC1-[4-(benzylamino)butyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CCCCNCc1ccccc1
InChIInChI=1S/C24H29N5O/c1-2-30-17-21-28-22-23(19-12-6-7-13-20(19)27-24(22)25)29(21)15-9-8-14-26-16-18-10-4-3-5-11-18/h3-7,10-13,26H,2,8-9,14-17H2,1H3,(H2,25,27)
InChIKeyXVWVQNOTZHJYOX-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.27
Rot. Bonds10

About 1-[4-(benzylamino)butyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine

1-[4-(benzylamino)butyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine (PubChem CID 67519559) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 1-[4-(benzylamino)butyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-[4-(benzylamino)butyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
PubChem CID67519559
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name1-[4-(benzylamino)butyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CCCCNCc1ccccc1
InChIInChI=1S/C24H29N5O/c1-2-30-17-21-28-22-23(19-12-6-7-13-20(19)27-24(22)25)29(21)15-9-8-14-26-16-18-10-4-3-5-11-18/h3-7,10-13,26H,2,8-9,14-17H2,1H3,(H2,25,27)
InChIKeyXVWVQNOTZHJYOX-UHFFFAOYSA-N
XLogP4.27
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminopropyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 22344434
N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]-2-chloroacetamide
CID 172692306
2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethylcarbamic acid
CID 146308241
tert-butyl N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]carbamate
CID 10046489
2-(ethoxymethyl)-1-ethylimidazo[4,5-c]quinolin-4-amine
CID 122646444
ethyl 2-[3-[[3-[4-amino-2-(propoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]methyl]phenoxy]-2-methylpropanoate
CID 67222607
2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethylcarbamic acid
CID 90884300
(NE)-N-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentan-2-ylidene]hydroxylamine
CID 58869097
2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-4-amine
CID 118146427
1-(4-aminobutyl)-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 175941287
methyl 2-[4-[[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propylamino]methyl]phenyl]acetate
CID 25106601
2-(ethoxymethyl)-1-[3-(propan-2-ylideneamino)oxypropyl]imidazo[4,5-c]quinolin-4-amine
CID 58835308

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzylamino)butyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-[4-(benzylamino)butyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine (CID 67519559) is 1-[4-(benzylamino)butyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-[4-(benzylamino)butyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-[4-(benzylamino)butyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine is CCOCc1nc2c(N)nc3ccccc3c2n1CCCCNCc1ccccc1.
What is the InChIKey of 1-[4-(benzylamino)butyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine?
The InChIKey is XVWVQNOTZHJYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-2-30-17-21-28-22-23(19-12-6-7-13-20(19)27-24(22)25)29(21)15-9-8-14-26-16-18-10-4-3-5-11-18/h3-7,10-13,26H,2,8-9,14-17H2,1H3,(H2,25,27).
What are the key properties of 1-[4-(benzylamino)butyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine?
1-[4-(benzylamino)butyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine has a molecular weight of 403.53 g/mol, XLogP of 4.27, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzylamino)butyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 67519559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).