N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2-phenoxypropanamide

C23H25N5O2 — CID 23512668

IUPACN-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCCCCn1cnc2c(N)nc3ccccc3c21
InChIInChI=1S/C23H25N5O2/c1-16(30-17-9-3-2-4-10-17)23(29)25-13-7-8-14-28-15-26-20-21(28)18-11-5-6-12-19(18)27-22(20)24/h2-6,9-12,15-16H,7-8,13-14H2,1H3,(H2,24,27)(H,25,29)
InChIKeyBLLDZTQSNMHSCB-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.53
Rot. Bonds8

About N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2-phenoxypropanamide

N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2-phenoxypropanamide (PubChem CID 23512668) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2-phenoxypropanamide
PubChem CID23512668
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCCCCn1cnc2c(N)nc3ccccc3c21
InChIInChI=1S/C23H25N5O2/c1-16(30-17-9-3-2-4-10-17)23(29)25-13-7-8-14-28-15-26-20-21(28)18-11-5-6-12-19(18)27-22(20)24/h2-6,9-12,15-16H,7-8,13-14H2,1H3,(H2,24,27)(H,25,29)
InChIKeyBLLDZTQSNMHSCB-UHFFFAOYSA-N
XLogP3.53
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2-phenoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-3-methoxybenzamide
CID 59747981
1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-3-(4-phenoxyphenyl)urea
CID 22985743
methyl 10-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butylamino]-10-oxodecanoate
CID 23381326
N-[8-(4-aminoimidazo[4,5-c]quinolin-1-yl)octyl]methanesulfonamide
CID 10362916
(4S)-5-[3-(4-aminoimidazo[4,5-c]quinolin-1-yl)propylamino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 122591349
[(2S)-5-methyl-2-propan-2-ylcyclohexyl] N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]carbamate
CID 142032826
1-hexadecylimidazo[4,5-c]quinolin-4-amine
CID 11418374
1-(3-aminopropyl)imidazo[4,5-c]quinolin-4-amine
CID 18783973
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-3-methyl-1-phenylurea
CID 142653136
4-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-methoxybutan-1-amine
CID 91258990
N,N'-bis[4-(4-aminoimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]propanediamide
CID 23525615

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2-phenoxypropanamide?
The IUPAC name of N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2-phenoxypropanamide (CID 23512668) is N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2-phenoxypropanamide?
The canonical SMILES for N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)NCCCCn1cnc2c(N)nc3ccccc3c21.
What is the InChIKey of N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2-phenoxypropanamide?
The InChIKey is BLLDZTQSNMHSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-16(30-17-9-3-2-4-10-17)23(29)25-13-7-8-14-28-15-26-20-21(28)18-11-5-6-12-19(18)27-22(20)24/h2-6,9-12,15-16H,7-8,13-14H2,1H3,(H2,24,27)(H,25,29).
What are the key properties of N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2-phenoxypropanamide?
N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2-phenoxypropanamide has a molecular weight of 403.49 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2-phenoxypropanamide is sourced from PubChem (CID 23512668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).