methyl 4-amino-1-(2-benzoyloxypropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate

C26H28N4O4 — CID 130290420

IUPACmethyl 4-amino-1-(2-benzoyloxypropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate
SMILESCCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CC(C)OC(=O)c1ccccc1
InChIInChI=1S/C26H28N4O4/c1-4-5-11-21-29-22-23(19-13-12-18(25(31)33-3)14-20(19)28-24(22)27)30(21)15-16(2)34-26(32)17-9-7-6-8-10-17/h6-10,12-14,16H,4-5,11,15H2,1-3H3,(H2,27,28)
InChIKeyHTNDMVCIMHVHRM-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.54
Rot. Bonds8

About methyl 4-amino-1-(2-benzoyloxypropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate

methyl 4-amino-1-(2-benzoyloxypropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate (PubChem CID 130290420) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is methyl 4-amino-1-(2-benzoyloxypropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-(2-benzoyloxypropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate
PubChem CID130290420
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Namemethyl 4-amino-1-(2-benzoyloxypropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate
SMILESCCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CC(C)OC(=O)c1ccccc1
InChIInChI=1S/C26H28N4O4/c1-4-5-11-21-29-22-23(19-13-12-18(25(31)33-3)14-20(19)28-24(22)27)30(21)15-16(2)34-26(32)17-9-7-6-8-10-17/h6-10,12-14,16H,4-5,11,15H2,1-3H3,(H2,27,28)
InChIKeyHTNDMVCIMHVHRM-UHFFFAOYSA-N
XLogP4.54
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-(2-benzoyloxypropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate?
The IUPAC name of methyl 4-amino-1-(2-benzoyloxypropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate (CID 130290420) is methyl 4-amino-1-(2-benzoyloxypropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate.
What is the SMILES notation for methyl 4-amino-1-(2-benzoyloxypropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate?
The canonical SMILES for methyl 4-amino-1-(2-benzoyloxypropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate is CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CC(C)OC(=O)c1ccccc1.
What is the InChIKey of methyl 4-amino-1-(2-benzoyloxypropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate?
The InChIKey is HTNDMVCIMHVHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-4-5-11-21-29-22-23(19-13-12-18(25(31)33-3)14-20(19)28-24(22)27)30(21)15-16(2)34-26(32)17-9-7-6-8-10-17/h6-10,12-14,16H,4-5,11,15H2,1-3H3,(H2,27,28).
What are the key properties of methyl 4-amino-1-(2-benzoyloxypropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate?
methyl 4-amino-1-(2-benzoyloxypropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate has a molecular weight of 460.53 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-(2-benzoyloxypropyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate is sourced from PubChem (CID 130290420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).