tert-butyl N-[2-[4-azido-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]carbamate

C20H25N7O3 — CID 150738364

IUPACtert-butyl N-[2-[4-azido-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]carbamate
SMILESCCOCc1nc2c(N=[N+]=[N-])nc3ccccc3c2n1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C20H25N7O3/c1-5-29-12-15-24-16-17(27(15)11-10-22-19(28)30-20(2,3)4)13-8-6-7-9-14(13)23-18(16)25-26-21/h6-9H,5,10-12H2,1-4H3,(H,22,28)
InChIKeyJTHSFCIGGXCTDQ-UHFFFAOYSA-N
MW411.47 g/mol
LogP4.59
Rot. Bonds7

About tert-butyl N-[2-[4-azido-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]carbamate

tert-butyl N-[2-[4-azido-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]carbamate (PubChem CID 150738364) has the molecular formula C20H25N7O3 and a molecular weight of 411.47 g/mol. Its IUPAC name is tert-butyl N-[2-[4-azido-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-azido-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]carbamate
PubChem CID150738364
Molecular FormulaC20H25N7O3
Molecular Weight411.47 g/mol
Exact Mass411.20
IUPAC Nametert-butyl N-[2-[4-azido-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]carbamate
SMILESCCOCc1nc2c(N=[N+]=[N-])nc3ccccc3c2n1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C20H25N7O3/c1-5-29-12-15-24-16-17(27(15)11-10-22-19(28)30-20(2,3)4)13-8-6-7-9-14(13)23-18(16)25-26-21/h6-9H,5,10-12H2,1-4H3,(H,22,28)
InChIKeyJTHSFCIGGXCTDQ-UHFFFAOYSA-N
XLogP4.59
TPSA127.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-[4-azido-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]carbamate 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

tert-butyl N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]carbamate
CID 10046489
tert-butyl N-[(E)-5-(4-azido-2-butylimidazo[4,5-c]quinolin-1-yl)pent-3-enyl]carbamate
CID 177290906
tert-butyl N-[(E)-4-(4-azido-2-butylimidazo[4,5-c]quinolin-1-yl)-3-methylbut-2-enyl]carbamate
CID 177290896
tert-butyl N-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate
CID 86668284
2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethylcarbamic acid
CID 146308241
2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2-iodopropanamide
CID 146320064
tert-butyl N-[4-[4-amino-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate
CID 176656337
tert-butyl N-[N'-[2-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 126651386
2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethylcarbamic acid
CID 90884300
tert-butyl N-[(5S)-5-acetamido-6-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-6-oxohexyl]carbamate
CID 155097483
tert-butyl N-[[1-[4-[1-[2-(ethoxymethyl)-4-(methylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxybutyl]triazol-4-yl]methyl]carbamate
CID 171560959
tert-butyl N-[3-[[(4S)-4-amino-5-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]-5-oxopentanoyl]amino]propyl]-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]butyl]carbamate
CID 122591569

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-azido-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-azido-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]carbamate (CID 150738364) is tert-butyl N-[2-[4-azido-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-azido-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-azido-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]carbamate is CCOCc1nc2c(N=[N+]=[N-])nc3ccccc3c2n1CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[4-azido-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]carbamate?
The InChIKey is JTHSFCIGGXCTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O3/c1-5-29-12-15-24-16-17(27(15)11-10-22-19(28)30-20(2,3)4)13-8-6-7-9-14(13)23-18(16)25-26-21/h6-9H,5,10-12H2,1-4H3,(H,22,28).
What are the key properties of tert-butyl N-[2-[4-azido-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]carbamate?
tert-butyl N-[2-[4-azido-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]carbamate has a molecular weight of 411.47 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-azido-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]carbamate is sourced from PubChem (CID 150738364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).