methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-propylimidazo[4,5-c]quinoline-7-carboxylate

C19H24N4O3 — CID 71505730

IUPACmethyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-propylimidazo[4,5-c]quinoline-7-carboxylate
SMILESCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CC(C)(C)O
InChIInChI=1S/C19H24N4O3/c1-5-6-14-22-15-16(23(14)10-19(2,3)25)12-8-7-11(18(24)26-4)9-13(12)21-17(15)20/h7-9,25H,5-6,10H2,1-4H3,(H2,20,21)
InChIKeyFRWUCWDOQKZMOO-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.68
Rot. Bonds5

About methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-propylimidazo[4,5-c]quinoline-7-carboxylate

methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-propylimidazo[4,5-c]quinoline-7-carboxylate (PubChem CID 71505730) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-propylimidazo[4,5-c]quinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-propylimidazo[4,5-c]quinoline-7-carboxylate
PubChem CID71505730
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Namemethyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-propylimidazo[4,5-c]quinoline-7-carboxylate
SMILESCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CC(C)(C)O
InChIInChI=1S/C19H24N4O3/c1-5-6-14-22-15-16(23(14)10-19(2,3)25)12-8-7-11(18(24)26-4)9-13(12)21-17(15)20/h7-9,25H,5-6,10H2,1-4H3,(H2,20,21)
InChIKeyFRWUCWDOQKZMOO-UHFFFAOYSA-N
XLogP2.68
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-propylimidazo[4,5-c]quinoline-7-carboxylate?
The IUPAC name of methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-propylimidazo[4,5-c]quinoline-7-carboxylate (CID 71505730) is methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-propylimidazo[4,5-c]quinoline-7-carboxylate.
What is the SMILES notation for methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-propylimidazo[4,5-c]quinoline-7-carboxylate?
The canonical SMILES for methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-propylimidazo[4,5-c]quinoline-7-carboxylate is CCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CC(C)(C)O.
What is the InChIKey of methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-propylimidazo[4,5-c]quinoline-7-carboxylate?
The InChIKey is FRWUCWDOQKZMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-5-6-14-22-15-16(23(14)10-19(2,3)25)12-8-7-11(18(24)26-4)9-13(12)21-17(15)20/h7-9,25H,5-6,10H2,1-4H3,(H2,20,21).
What are the key properties of methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-propylimidazo[4,5-c]quinoline-7-carboxylate?
methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-propylimidazo[4,5-c]quinoline-7-carboxylate has a molecular weight of 356.43 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-propylimidazo[4,5-c]quinoline-7-carboxylate is sourced from PubChem (CID 71505730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).