N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-2-phenylacetamide

C22H23N5O2 — CID 20608816

IUPACN-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-2-phenylacetamide
SMILESNc1nc2ccccc2c2c1ncn2CCOCCNC(=O)Cc1ccccc1
InChIInChI=1S/C22H23N5O2/c23-22-20-21(17-8-4-5-9-18(17)26-22)27(15-25-20)11-13-29-12-10-24-19(28)14-16-6-2-1-3-7-16/h1-9,15H,10-14H2,(H2,23,26)(H,24,28)
InChIKeyPUZUVHZEFRHWHE-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.54
Rot. Bonds8

About N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-2-phenylacetamide

N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-2-phenylacetamide (PubChem CID 20608816) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-2-phenylacetamide
PubChem CID20608816
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-2-phenylacetamide
SMILESNc1nc2ccccc2c2c1ncn2CCOCCNC(=O)Cc1ccccc1
InChIInChI=1S/C22H23N5O2/c23-22-20-21(17-8-4-5-9-18(17)26-22)27(15-25-20)11-13-29-12-10-24-19(28)14-16-6-2-1-3-7-16/h1-9,15H,10-14H2,(H2,23,26)(H,24,28)
InChIKeyPUZUVHZEFRHWHE-UHFFFAOYSA-N
XLogP2.54
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.54
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

N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-2-sulfonamide
CID 20613684
methyl 10-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butylamino]-10-oxodecanoate
CID 23381326
N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2-phenoxypropanamide
CID 23512668
N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 20613683
(2,2,2-trifluoroacetyl) 2-[3-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]propyl]benzoate
CID 87940857
N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-3-methoxybenzamide
CID 59747981
1-(3-aminopropyl)imidazo[4,5-c]quinolin-4-amine
CID 18783973
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-2-phenylmethoxyacetamide
CID 20608837
1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-3-(4-phenoxyphenyl)urea
CID 22985743
1-hexadecylimidazo[4,5-c]quinolin-4-amine
CID 11418374
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-2-phenylacetamide (CID 20608816) is N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-2-phenylacetamide is Nc1nc2ccccc2c2c1ncn2CCOCCNC(=O)Cc1ccccc1.
What is the InChIKey of N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-2-phenylacetamide?
The InChIKey is PUZUVHZEFRHWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c23-22-20-21(17-8-4-5-9-18(17)26-22)27(15-25-20)11-13-29-12-10-24-19(28)14-16-6-2-1-3-7-16/h1-9,15H,10-14H2,(H2,23,26)(H,24,28).
What are the key properties of N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-2-phenylacetamide?
N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-2-phenylacetamide has a molecular weight of 389.46 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-2-phenylacetamide is sourced from PubChem (CID 20608816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).