N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide

C24H27N5O — CID 23512725

IUPACN-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCCNC(=O)c1ccccc1
InChIInChI=1S/C24H27N5O/c1-2-3-14-20-28-21-22(18-12-7-8-13-19(18)27-23(21)25)29(20)16-9-15-26-24(30)17-10-5-4-6-11-17/h4-8,10-13H,2-3,9,14-16H2,1H3,(H2,25,27)(H,26,30)
InChIKeyYTWBMRXEDRJFTK-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.33
Rot. Bonds8

About N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide

N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide (PubChem CID 23512725) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide.

Molecular Properties

Compound NameN-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
PubChem CID23512725
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC NameN-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCCNC(=O)c1ccccc1
InChIInChI=1S/C24H27N5O/c1-2-3-14-20-28-21-22(18-12-7-8-13-19(18)27-23(21)25)29(20)16-9-15-26-24(30)17-10-5-4-6-11-17/h4-8,10-13H,2-3,9,14-16H2,1H3,(H2,25,27)(H,26,30)
InChIKeyYTWBMRXEDRJFTK-UHFFFAOYSA-N
XLogP4.33
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzamide
CID 20608822
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzamide;ethane
CID 142145306
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl]benzamide
CID 10410390
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-4-oxobutanoic acid
CID 135137543
1-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-3-benzylurea
CID 18616841
N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-4-[(diaminomethylideneamino)methyl]benzamide
CID 135317306
N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N'-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanediamide
CID 167295895
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-1-carboxamide
CID 20608821
1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-(2-chlorophenyl)urea
CID 22985761
N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N'-[2-[[2-[[2-[(10-aminocyclodeca-1,3,5,7,9-pentaen-1-yl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanediamide
CID 167295850

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide?
The IUPAC name of N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide (CID 23512725) is N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide.
What is the SMILES notation for N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide?
The canonical SMILES for N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide is CCCCc1nc2c(N)nc3ccccc3c2n1CCCNC(=O)c1ccccc1.
What is the InChIKey of N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide?
The InChIKey is YTWBMRXEDRJFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-2-3-14-20-28-21-22(18-12-7-8-13-19(18)27-23(21)25)29(20)16-9-15-26-24(30)17-10-5-4-6-11-17/h4-8,10-13H,2-3,9,14-16H2,1H3,(H2,25,27)(H,26,30).
What are the key properties of N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide?
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide has a molecular weight of 401.51 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide is sourced from PubChem (CID 23512725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).