1-(4-aminobutyl)-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine

C24H29N5O — CID 175941287

IUPAC1-(4-aminobutyl)-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
SMILESCCOCc1nc2c(N)nc3cc(Cc4ccccc4)ccc3c2n1CCCCN
InChIInChI=1S/C24H29N5O/c1-2-30-16-21-28-22-23(29(21)13-7-6-12-25)19-11-10-18(15-20(19)27-24(22)26)14-17-8-4-3-5-9-17/h3-5,8-11,15H,2,6-7,12-14,16,25H2,1H3,(H2,26,27)
InChIKeyQBEHBQZNGDVJJX-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.03
Rot. Bonds9

About 1-(4-aminobutyl)-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine

1-(4-aminobutyl)-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine (PubChem CID 175941287) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 1-(4-aminobutyl)-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-(4-aminobutyl)-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
PubChem CID175941287
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name1-(4-aminobutyl)-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
SMILESCCOCc1nc2c(N)nc3cc(Cc4ccccc4)ccc3c2n1CCCCN
InChIInChI=1S/C24H29N5O/c1-2-30-16-21-28-22-23(29(21)13-7-6-12-25)19-11-10-18(15-20(19)27-24(22)26)14-17-8-4-3-5-9-17/h3-5,8-11,15H,2,6-7,12-14,16,25H2,1H3,(H2,26,27)
InChIKeyQBEHBQZNGDVJJX-UHFFFAOYSA-N
XLogP4.03
TPSA91.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.03
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

tert-butyl N-[4-[4-amino-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate
CID 176656337
N'-[1-[4-amino-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]propane-1,3-diamine
CID 175941283
1-(3-aminopropyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 22344434
1-[4-amino-7-[[4-(aminomethyl)phenyl]methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 175941260
1-[4-(benzylamino)butyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 67519559
3-[[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]methyl]phenol
CID 175941363
2-(ethoxymethyl)-1-ethylimidazo[4,5-c]quinolin-4-amine
CID 122646444
N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]-2-chloroacetamide
CID 172692306
1-[3-[4-amino-1-(4-aminobutyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]oxypropyl]pyrrolidin-2-one
CID 58833657
(NE)-N-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentan-2-ylidene]hydroxylamine
CID 58869097
2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethylcarbamic acid
CID 146308241
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-aminobutyl)-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-(4-aminobutyl)-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine (CID 175941287) is 1-(4-aminobutyl)-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-(4-aminobutyl)-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-(4-aminobutyl)-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine is CCOCc1nc2c(N)nc3cc(Cc4ccccc4)ccc3c2n1CCCCN.
What is the InChIKey of 1-(4-aminobutyl)-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine?
The InChIKey is QBEHBQZNGDVJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-2-30-16-21-28-22-23(29(21)13-7-6-12-25)19-11-10-18(15-20(19)27-24(22)26)14-17-8-4-3-5-9-17/h3-5,8-11,15H,2,6-7,12-14,16,25H2,1H3,(H2,26,27).
What are the key properties of 1-(4-aminobutyl)-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine?
1-(4-aminobutyl)-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine has a molecular weight of 403.53 g/mol, XLogP of 4.03, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutyl)-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 175941287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).