2,4,5,9-tetramethyl-5,6-dihydrobenzo[h]cinnolin-3-one

C16H18N2O — CID 58694569

IUPAC2,4,5,9-tetramethyl-5,6-dihydrobenzo[h]cinnolin-3-one
SMILESCc1ccc2c(c1)-c1nn(C)c(=O)c(C)c1C(C)C2
InChIInChI=1S/C16H18N2O/c1-9-5-6-12-8-10(2)14-11(3)16(19)18(4)17-15(14)13(12)7-9/h5-7,10H,8H2,1-4H3
InChIKeyKJMNJLSENHLVQC-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.72
Rot. Bonds

About 2,4,5,9-tetramethyl-5,6-dihydrobenzo[h]cinnolin-3-one

2,4,5,9-tetramethyl-5,6-dihydrobenzo[h]cinnolin-3-one (PubChem CID 58694569) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2,4,5,9-tetramethyl-5,6-dihydrobenzo[h]cinnolin-3-one.

Molecular Properties

Compound Name2,4,5,9-tetramethyl-5,6-dihydrobenzo[h]cinnolin-3-one
PubChem CID58694569
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2,4,5,9-tetramethyl-5,6-dihydrobenzo[h]cinnolin-3-one
SMILESCc1ccc2c(c1)-c1nn(C)c(=O)c(C)c1C(C)C2
InChIInChI=1S/C16H18N2O/c1-9-5-6-12-8-10(2)14-11(3)16(19)18(4)17-15(14)13(12)7-9/h5-7,10H,8H2,1-4H3
InChIKeyKJMNJLSENHLVQC-UHFFFAOYSA-N
XLogP2.72
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,5,9-tetramethyl-5,6-dihydrobenzo[h]cinnolin-3-one?
The IUPAC name of 2,4,5,9-tetramethyl-5,6-dihydrobenzo[h]cinnolin-3-one (CID 58694569) is 2,4,5,9-tetramethyl-5,6-dihydrobenzo[h]cinnolin-3-one.
What is the SMILES notation for 2,4,5,9-tetramethyl-5,6-dihydrobenzo[h]cinnolin-3-one?
The canonical SMILES for 2,4,5,9-tetramethyl-5,6-dihydrobenzo[h]cinnolin-3-one is Cc1ccc2c(c1)-c1nn(C)c(=O)c(C)c1C(C)C2.
What is the InChIKey of 2,4,5,9-tetramethyl-5,6-dihydrobenzo[h]cinnolin-3-one?
The InChIKey is KJMNJLSENHLVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-9-5-6-12-8-10(2)14-11(3)16(19)18(4)17-15(14)13(12)7-9/h5-7,10H,8H2,1-4H3.
What are the key properties of 2,4,5,9-tetramethyl-5,6-dihydrobenzo[h]cinnolin-3-one?
2,4,5,9-tetramethyl-5,6-dihydrobenzo[h]cinnolin-3-one has a molecular weight of 254.33 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,9-tetramethyl-5,6-dihydrobenzo[h]cinnolin-3-one is sourced from PubChem (CID 58694569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).