5-ethyl-5-methyl-3,6-dihydrobenzo[h]quinazolin-4-one

C15H16N2O — CID 135530212

IUPAC5-ethyl-5-methyl-3,6-dihydrobenzo[h]quinazolin-4-one
SMILESCCC1(C)Cc2ccccc2-c2nc[nH]c(=O)c21
InChIInChI=1S/C15H16N2O/c1-3-15(2)8-10-6-4-5-7-11(10)13-12(15)14(18)17-9-16-13/h4-7,9H,3,8H2,1-2H3,(H,16,17,18)
InChIKeyUTJRGNCYPLAFDJ-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.66
Rot. Bonds1

About 5-ethyl-5-methyl-3,6-dihydrobenzo[h]quinazolin-4-one

5-ethyl-5-methyl-3,6-dihydrobenzo[h]quinazolin-4-one (PubChem CID 135530212) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-ethyl-5-methyl-3,6-dihydrobenzo[h]quinazolin-4-one.

Molecular Properties

Compound Name5-ethyl-5-methyl-3,6-dihydrobenzo[h]quinazolin-4-one
PubChem CID135530212
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name5-ethyl-5-methyl-3,6-dihydrobenzo[h]quinazolin-4-one
SMILESCCC1(C)Cc2ccccc2-c2nc[nH]c(=O)c21
InChIInChI=1S/C15H16N2O/c1-3-15(2)8-10-6-4-5-7-11(10)13-12(15)14(18)17-9-16-13/h4-7,9H,3,8H2,1-2H3,(H,16,17,18)
InChIKeyUTJRGNCYPLAFDJ-UHFFFAOYSA-N
XLogP2.66
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-3,6-dihydrobenzo[h]quinazolin-4-one?
The IUPAC name of 5-ethyl-5-methyl-3,6-dihydrobenzo[h]quinazolin-4-one (CID 135530212) is 5-ethyl-5-methyl-3,6-dihydrobenzo[h]quinazolin-4-one.
What is the SMILES notation for 5-ethyl-5-methyl-3,6-dihydrobenzo[h]quinazolin-4-one?
The canonical SMILES for 5-ethyl-5-methyl-3,6-dihydrobenzo[h]quinazolin-4-one is CCC1(C)Cc2ccccc2-c2nc[nH]c(=O)c21.
What is the InChIKey of 5-ethyl-5-methyl-3,6-dihydrobenzo[h]quinazolin-4-one?
The InChIKey is UTJRGNCYPLAFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-3-15(2)8-10-6-4-5-7-11(10)13-12(15)14(18)17-9-16-13/h4-7,9H,3,8H2,1-2H3,(H,16,17,18).
What are the key properties of 5-ethyl-5-methyl-3,6-dihydrobenzo[h]quinazolin-4-one?
5-ethyl-5-methyl-3,6-dihydrobenzo[h]quinazolin-4-one has a molecular weight of 240.31 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-3,6-dihydrobenzo[h]quinazolin-4-one is sourced from PubChem (CID 135530212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).