2,7-di(propan-2-yl)-1,4-dihydroimidazo[4,5-c]isoquinolin-5-one

C16H19N3O — CID 70937270

IUPAC2,7-di(propan-2-yl)-1,4-dihydroimidazo[4,5-c]isoquinolin-5-one
SMILESCC(C)c1ccc2c(c1)c(=O)[nH]c1nc(C(C)C)[nH]c12
InChIInChI=1S/C16H19N3O/c1-8(2)10-5-6-11-12(7-10)16(20)19-15-13(11)17-14(18-15)9(3)4/h5-9H,1-4H3,(H2,17,18,19,20)
InChIKeyZFEVMXKLIMYEBL-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.65
Rot. Bonds2

About 2,7-di(propan-2-yl)-1,4-dihydroimidazo[4,5-c]isoquinolin-5-one

2,7-di(propan-2-yl)-1,4-dihydroimidazo[4,5-c]isoquinolin-5-one (PubChem CID 70937270) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2,7-di(propan-2-yl)-1,4-dihydroimidazo[4,5-c]isoquinolin-5-one.

Molecular Properties

Compound Name2,7-di(propan-2-yl)-1,4-dihydroimidazo[4,5-c]isoquinolin-5-one
PubChem CID70937270
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2,7-di(propan-2-yl)-1,4-dihydroimidazo[4,5-c]isoquinolin-5-one
SMILESCC(C)c1ccc2c(c1)c(=O)[nH]c1nc(C(C)C)[nH]c12
InChIInChI=1S/C16H19N3O/c1-8(2)10-5-6-11-12(7-10)16(20)19-15-13(11)17-14(18-15)9(3)4/h5-9H,1-4H3,(H2,17,18,19,20)
InChIKeyZFEVMXKLIMYEBL-UHFFFAOYSA-N
XLogP3.65
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-di(propan-2-yl)-1,4-dihydroimidazo[4,5-c]isoquinolin-5-one?
The IUPAC name of 2,7-di(propan-2-yl)-1,4-dihydroimidazo[4,5-c]isoquinolin-5-one (CID 70937270) is 2,7-di(propan-2-yl)-1,4-dihydroimidazo[4,5-c]isoquinolin-5-one.
What is the SMILES notation for 2,7-di(propan-2-yl)-1,4-dihydroimidazo[4,5-c]isoquinolin-5-one?
The canonical SMILES for 2,7-di(propan-2-yl)-1,4-dihydroimidazo[4,5-c]isoquinolin-5-one is CC(C)c1ccc2c(c1)c(=O)[nH]c1nc(C(C)C)[nH]c12.
What is the InChIKey of 2,7-di(propan-2-yl)-1,4-dihydroimidazo[4,5-c]isoquinolin-5-one?
The InChIKey is ZFEVMXKLIMYEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-8(2)10-5-6-11-12(7-10)16(20)19-15-13(11)17-14(18-15)9(3)4/h5-9H,1-4H3,(H2,17,18,19,20).
What are the key properties of 2,7-di(propan-2-yl)-1,4-dihydroimidazo[4,5-c]isoquinolin-5-one?
2,7-di(propan-2-yl)-1,4-dihydroimidazo[4,5-c]isoquinolin-5-one has a molecular weight of 269.35 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-di(propan-2-yl)-1,4-dihydroimidazo[4,5-c]isoquinolin-5-one is sourced from PubChem (CID 70937270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).