2-benzyl-5,6-dihydrobenzo[h]cinnolin-3-one

C19H16N2O — CID 1472489

IUPAC2-benzyl-5,6-dihydrobenzo[h]cinnolin-3-one
SMILESO=c1cc2c(nn1Cc1ccccc1)-c1ccccc1CC2
InChIInChI=1S/C19H16N2O/c22-18-12-16-11-10-15-8-4-5-9-17(15)19(16)20-21(18)13-14-6-2-1-3-7-14/h1-9,12H,10-11,13H2
InChIKeyRENLREMUAMZAKE-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.06
Rot. Bonds2

About 2-benzyl-5,6-dihydrobenzo[h]cinnolin-3-one

2-benzyl-5,6-dihydrobenzo[h]cinnolin-3-one (PubChem CID 1472489) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-benzyl-5,6-dihydrobenzo[h]cinnolin-3-one.

Molecular Properties

Compound Name2-benzyl-5,6-dihydrobenzo[h]cinnolin-3-one
PubChem CID1472489
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name2-benzyl-5,6-dihydrobenzo[h]cinnolin-3-one
SMILESO=c1cc2c(nn1Cc1ccccc1)-c1ccccc1CC2
InChIInChI=1S/C19H16N2O/c22-18-12-16-11-10-15-8-4-5-9-17(15)19(16)20-21(18)13-14-6-2-1-3-7-14/h1-9,12H,10-11,13H2
InChIKeyRENLREMUAMZAKE-UHFFFAOYSA-N
XLogP3.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5,6-dihydrobenzo[h]cinnolin-3-one?
The IUPAC name of 2-benzyl-5,6-dihydrobenzo[h]cinnolin-3-one (CID 1472489) is 2-benzyl-5,6-dihydrobenzo[h]cinnolin-3-one.
What is the SMILES notation for 2-benzyl-5,6-dihydrobenzo[h]cinnolin-3-one?
The canonical SMILES for 2-benzyl-5,6-dihydrobenzo[h]cinnolin-3-one is O=c1cc2c(nn1Cc1ccccc1)-c1ccccc1CC2.
What is the InChIKey of 2-benzyl-5,6-dihydrobenzo[h]cinnolin-3-one?
The InChIKey is RENLREMUAMZAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c22-18-12-16-11-10-15-8-4-5-9-17(15)19(16)20-21(18)13-14-6-2-1-3-7-14/h1-9,12H,10-11,13H2.
What are the key properties of 2-benzyl-5,6-dihydrobenzo[h]cinnolin-3-one?
2-benzyl-5,6-dihydrobenzo[h]cinnolin-3-one has a molecular weight of 288.35 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5,6-dihydrobenzo[h]cinnolin-3-one is sourced from PubChem (CID 1472489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).