4-amino-N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]butanamide

C22H33N7O2 — CID 142145311

IUPAC4-amino-N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]butanamide
SMILESCNCCCc1nc2c(N)nc3ccccc3c2n1CCOCCNC(=O)CCCN
InChIInChI=1S/C22H33N7O2/c1-25-11-5-8-18-28-20-21(16-6-2-3-7-17(16)27-22(20)24)29(18)13-15-31-14-12-26-19(30)9-4-10-23/h2-3,6-7,25H,4-5,8-15,23H2,1H3,(H2,24,27)(H,26,30)
InChIKeyNQVFLZJPWPEFBM-UHFFFAOYSA-N
MW427.55 g/mol
LogP1.19
Rot. Bonds13

About 4-amino-N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]butanamide

4-amino-N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]butanamide (PubChem CID 142145311) has the molecular formula C22H33N7O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 4-amino-N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]butanamide
PubChem CID142145311
Molecular FormulaC22H33N7O2
Molecular Weight427.55 g/mol
Exact Mass427.27
IUPAC Name4-amino-N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]butanamide
SMILESCNCCCc1nc2c(N)nc3ccccc3c2n1CCOCCNC(=O)CCCN
InChIInChI=1S/C22H33N7O2/c1-25-11-5-8-18-28-20-21(16-6-2-3-7-17(16)27-22(20)24)29(18)13-15-31-14-12-26-19(30)9-4-10-23/h2-3,6-7,25H,4-5,8-15,23H2,1H3,(H2,24,27)(H,26,30)
InChIKeyNQVFLZJPWPEFBM-UHFFFAOYSA-N
XLogP1.19
TPSA133.11 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]cyclopropanecarboxamide
CID 142145309
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-2-phenylmethoxyacetamide
CID 20608837
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
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-1-carboxamide
CID 20608821
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
4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-4-oxobutanoic acid
CID 135137543
2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethylcarbamic acid
CID 90884300
2-[4-amino-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-2-yl]ethanol
CID 142032833
(5Z)-N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-5-[(Z)-but-2-enylidene]-6-methylidenecyclohexa-1,3-diene-1-sulfonamide
CID 142145798
2-[4-[3-[2-[2-[2-[[2-[2-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]butyl]-6-[4-(methylamino)butyl]heptanediamide
CID 159998325
N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[2-[2-[2-[2-[3-[[4-(methylamino)-5-oxohexyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 166571814

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]butanamide?
The IUPAC name of 4-amino-N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]butanamide (CID 142145311) is 4-amino-N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]butanamide.
What is the SMILES notation for 4-amino-N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]butanamide?
The canonical SMILES for 4-amino-N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]butanamide is CNCCCc1nc2c(N)nc3ccccc3c2n1CCOCCNC(=O)CCCN.
What is the InChIKey of 4-amino-N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]butanamide?
The InChIKey is NQVFLZJPWPEFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N7O2/c1-25-11-5-8-18-28-20-21(16-6-2-3-7-17(16)27-22(20)24)29(18)13-15-31-14-12-26-19(30)9-4-10-23/h2-3,6-7,25H,4-5,8-15,23H2,1H3,(H2,24,27)(H,26,30).
What are the key properties of 4-amino-N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]butanamide?
4-amino-N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]butanamide has a molecular weight of 427.55 g/mol, XLogP of 1.19, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]butanamide is sourced from PubChem (CID 142145311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).