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

C22H30N4O3 — CID 86668284

IUPACtert-butyl N-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate
SMILESCCOCc1nc2cnc3ccccc3c2n1CCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C22H30N4O3/c1-5-28-15-19-25-18-14-24-17-11-7-6-10-16(17)20(18)26(19)13-9-8-12-23-21(27)29-22(2,3)4/h6-7,10-11,14H,5,8-9,12-13,15H2,1-4H3,(H,23,27)
InChIKeyJIHMUMPXMHSOQE-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.43
Rot. Bonds8

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

tert-butyl N-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate (PubChem CID 86668284) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is tert-butyl N-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate
PubChem CID86668284
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Nametert-butyl N-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate
SMILESCCOCc1nc2cnc3ccccc3c2n1CCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C22H30N4O3/c1-5-28-15-19-25-18-14-24-17-11-7-6-10-16(17)20(18)26(19)13-9-8-12-23-21(27)29-22(2,3)4/h6-7,10-11,14H,5,8-9,12-13,15H2,1-4H3,(H,23,27)
InChIKeyJIHMUMPXMHSOQE-UHFFFAOYSA-N
XLogP4.43
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentanamide
CID 57447092
tert-butyl N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]carbamate
CID 10046489
tert-butyl N-[2-[2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]carbamate
CID 69417224
3-[2-(propoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylcarbamic acid
CID 67224202
2-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]isoindole-1,3-dione
CID 54490153
ethyl 3-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propanoate
CID 57447047
O-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl] ethanethioate
CID 91445036
tert-butyl N-[4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate
CID 86593760
tert-butyl N-[2-[4-azido-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]carbamate
CID 150738364
5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide
CID 141135348
tert-butyl N-(2-butylimidazo[4,5-c]quinolin-1-yl)carbamate
CID 21075818

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate (CID 86668284) is tert-butyl N-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate is CCOCc1nc2cnc3ccccc3c2n1CCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate?
The InChIKey is JIHMUMPXMHSOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-5-28-15-19-25-18-14-24-17-11-7-6-10-16(17)20(18)26(19)13-9-8-12-23-21(27)29-22(2,3)4/h6-7,10-11,14H,5,8-9,12-13,15H2,1-4H3,(H,23,27).
What are the key properties of tert-butyl N-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate?
tert-butyl N-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate has a molecular weight of 398.51 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate is sourced from PubChem (CID 86668284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).