tert-butyl N-[3-[1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]carbamate

C25H36N4O3 — CID 68969654

IUPACtert-butyl N-[3-[1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]carbamate
SMILESCCCc1nc2cnc3cc(OCCCNC(=O)OC(C)(C)C)ccc3c2n1CC(C)C
InChIInChI=1S/C25H36N4O3/c1-7-9-22-28-21-15-27-20-14-18(10-11-19(20)23(21)29(22)16-17(2)3)31-13-8-12-26-24(30)32-25(4,5)6/h10-11,14-15,17H,7-9,12-13,16H2,1-6H3,(H,26,30)
InChIKeyNTHWNDWFNZFSDA-UHFFFAOYSA-N
MW440.59 g/mol
LogP5.49
Rot. Bonds9

About tert-butyl N-[3-[1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]carbamate

tert-butyl N-[3-[1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]carbamate (PubChem CID 68969654) has the molecular formula C25H36N4O3 and a molecular weight of 440.59 g/mol. Its IUPAC name is tert-butyl N-[3-[1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]carbamate
PubChem CID68969654
Molecular FormulaC25H36N4O3
Molecular Weight440.59 g/mol
Exact Mass440.28
IUPAC Nametert-butyl N-[3-[1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]carbamate
SMILESCCCc1nc2cnc3cc(OCCCNC(=O)OC(C)(C)C)ccc3c2n1CC(C)C
InChIInChI=1S/C25H36N4O3/c1-7-9-22-28-21-15-27-20-14-18(10-11-19(20)23(21)29(22)16-17(2)3)31-13-8-12-26-24(30)32-25(4,5)6/h10-11,14-15,17H,7-9,12-13,16H2,1-6H3,(H,26,30)
InChIKeyNTHWNDWFNZFSDA-UHFFFAOYSA-N
XLogP5.49
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 55.49
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]carbamate (CID 68969654) is tert-butyl N-[3-[1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]carbamate is CCCc1nc2cnc3cc(OCCCNC(=O)OC(C)(C)C)ccc3c2n1CC(C)C.
What is the InChIKey of tert-butyl N-[3-[1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]carbamate?
The InChIKey is NTHWNDWFNZFSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O3/c1-7-9-22-28-21-15-27-20-14-18(10-11-19(20)23(21)29(22)16-17(2)3)31-13-8-12-26-24(30)32-25(4,5)6/h10-11,14-15,17H,7-9,12-13,16H2,1-6H3,(H,26,30).
What are the key properties of tert-butyl N-[3-[1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]carbamate?
tert-butyl N-[3-[1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]carbamate has a molecular weight of 440.59 g/mol, XLogP of 5.49, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]carbamate is sourced from PubChem (CID 68969654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).