2,5,5-triethyl-3,6-dihydrobenzo[h]quinazolin-4-one

C18H22N2O — CID 135516037

IUPAC2,5,5-triethyl-3,6-dihydrobenzo[h]quinazolin-4-one
SMILESCCc1nc2c(c(=O)[nH]1)C(CC)(CC)Cc1ccccc1-2
InChIInChI=1S/C18H22N2O/c1-4-14-19-16-13-10-8-7-9-12(13)11-18(5-2,6-3)15(16)17(21)20-14/h7-10H,4-6,11H2,1-3H3,(H,19,20,21)
InChIKeyTXZVRHZXENRQSX-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.61
Rot. Bonds3

About 2,5,5-triethyl-3,6-dihydrobenzo[h]quinazolin-4-one

2,5,5-triethyl-3,6-dihydrobenzo[h]quinazolin-4-one (PubChem CID 135516037) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2,5,5-triethyl-3,6-dihydrobenzo[h]quinazolin-4-one.

Molecular Properties

Compound Name2,5,5-triethyl-3,6-dihydrobenzo[h]quinazolin-4-one
PubChem CID135516037
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2,5,5-triethyl-3,6-dihydrobenzo[h]quinazolin-4-one
SMILESCCc1nc2c(c(=O)[nH]1)C(CC)(CC)Cc1ccccc1-2
InChIInChI=1S/C18H22N2O/c1-4-14-19-16-13-10-8-7-9-12(13)11-18(5-2,6-3)15(16)17(21)20-14/h7-10H,4-6,11H2,1-3H3,(H,19,20,21)
InChIKeyTXZVRHZXENRQSX-UHFFFAOYSA-N
XLogP3.61
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-triethyl-3,6-dihydrobenzo[h]quinazolin-4-one?
The IUPAC name of 2,5,5-triethyl-3,6-dihydrobenzo[h]quinazolin-4-one (CID 135516037) is 2,5,5-triethyl-3,6-dihydrobenzo[h]quinazolin-4-one.
What is the SMILES notation for 2,5,5-triethyl-3,6-dihydrobenzo[h]quinazolin-4-one?
The canonical SMILES for 2,5,5-triethyl-3,6-dihydrobenzo[h]quinazolin-4-one is CCc1nc2c(c(=O)[nH]1)C(CC)(CC)Cc1ccccc1-2.
What is the InChIKey of 2,5,5-triethyl-3,6-dihydrobenzo[h]quinazolin-4-one?
The InChIKey is TXZVRHZXENRQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-14-19-16-13-10-8-7-9-12(13)11-18(5-2,6-3)15(16)17(21)20-14/h7-10H,4-6,11H2,1-3H3,(H,19,20,21).
What are the key properties of 2,5,5-triethyl-3,6-dihydrobenzo[h]quinazolin-4-one?
2,5,5-triethyl-3,6-dihydrobenzo[h]quinazolin-4-one has a molecular weight of 282.39 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-triethyl-3,6-dihydrobenzo[h]quinazolin-4-one is sourced from PubChem (CID 135516037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).