N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]acetamide

C21H29N5O3 — CID 118451568

IUPACN-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]acetamide
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCNC(C)=O
InChIInChI=1S/C21H29N5O3/c1-5-28-12-17-25-18-19(15-8-6-7-9-16(15)24-20(18)22)26(17)13-21(3,4)29-11-10-23-14(2)27/h6-9H,5,10-13H2,1-4H3,(H2,22,24)(H,23,27)
InChIKeyGPIWCXJTCPCNIQ-UHFFFAOYSA-N
MW399.50 g/mol
LogP2.63
Rot. Bonds9

About N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]acetamide

N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]acetamide (PubChem CID 118451568) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]acetamide
PubChem CID118451568
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC NameN-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]acetamide
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCNC(C)=O
InChIInChI=1S/C21H29N5O3/c1-5-28-12-17-25-18-19(15-8-6-7-9-16(15)24-20(18)22)26(17)13-21(3,4)29-11-10-23-14(2)27/h6-9H,5,10-13H2,1-4H3,(H2,22,24)(H,23,27)
InChIKeyGPIWCXJTCPCNIQ-UHFFFAOYSA-N
XLogP2.63
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 3087469
Bms-066
CID 24825710
1-[[3-(Aminomethyl)phenyl]methyl]-2-Butyl-Imidazo[4,5-C]quinolin-4-Amine
CID 52944297
1-Benzyl-2-ethyl-1H-imidazo[4,5-c]quinolin-4-amine
CID 46830487
Bbiq
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CID 795706

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]acetamide?
The IUPAC name of N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]acetamide (CID 118451568) is N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]acetamide.
What is the SMILES notation for N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]acetamide?
The canonical SMILES for N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]acetamide is CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCNC(C)=O.
What is the InChIKey of N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]acetamide?
The InChIKey is GPIWCXJTCPCNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-5-28-12-17-25-18-19(15-8-6-7-9-16(15)24-20(18)22)26(17)13-21(3,4)29-11-10-23-14(2)27/h6-9H,5,10-13H2,1-4H3,(H2,22,24)(H,23,27).
What are the key properties of N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]acetamide?
N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]acetamide has a molecular weight of 399.50 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]acetamide is sourced from PubChem (CID 118451568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).