9-methoxy-6,6-dimethyl-1,5-dihydrobenzo[h]quinazolin-2-one

C15H16N2O2 — CID 57246441

IUPAC9-methoxy-6,6-dimethyl-1,5-dihydrobenzo[h]quinazolin-2-one
SMILESCOc1ccc2c(c1)-c1[nH]c(=O)ncc1CC2(C)C
InChIInChI=1S/C15H16N2O2/c1-15(2)7-9-8-16-14(18)17-13(9)11-6-10(19-3)4-5-12(11)15/h4-6,8H,7H2,1-3H3,(H,16,17,18)
InChIKeyZEIRPRJMGIQXDH-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.28
Rot. Bonds1

About 9-methoxy-6,6-dimethyl-1,5-dihydrobenzo[h]quinazolin-2-one

9-methoxy-6,6-dimethyl-1,5-dihydrobenzo[h]quinazolin-2-one (PubChem CID 57246441) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 9-methoxy-6,6-dimethyl-1,5-dihydrobenzo[h]quinazolin-2-one.

Molecular Properties

Compound Name9-methoxy-6,6-dimethyl-1,5-dihydrobenzo[h]quinazolin-2-one
PubChem CID57246441
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name9-methoxy-6,6-dimethyl-1,5-dihydrobenzo[h]quinazolin-2-one
SMILESCOc1ccc2c(c1)-c1[nH]c(=O)ncc1CC2(C)C
InChIInChI=1S/C15H16N2O2/c1-15(2)7-9-8-16-14(18)17-13(9)11-6-10(19-3)4-5-12(11)15/h4-6,8H,7H2,1-3H3,(H,16,17,18)
InChIKeyZEIRPRJMGIQXDH-UHFFFAOYSA-N
XLogP2.28
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-6,6-dimethyl-1,5-dihydrobenzo[h]quinazolin-2-one?
The IUPAC name of 9-methoxy-6,6-dimethyl-1,5-dihydrobenzo[h]quinazolin-2-one (CID 57246441) is 9-methoxy-6,6-dimethyl-1,5-dihydrobenzo[h]quinazolin-2-one.
What is the SMILES notation for 9-methoxy-6,6-dimethyl-1,5-dihydrobenzo[h]quinazolin-2-one?
The canonical SMILES for 9-methoxy-6,6-dimethyl-1,5-dihydrobenzo[h]quinazolin-2-one is COc1ccc2c(c1)-c1[nH]c(=O)ncc1CC2(C)C.
What is the InChIKey of 9-methoxy-6,6-dimethyl-1,5-dihydrobenzo[h]quinazolin-2-one?
The InChIKey is ZEIRPRJMGIQXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-15(2)7-9-8-16-14(18)17-13(9)11-6-10(19-3)4-5-12(11)15/h4-6,8H,7H2,1-3H3,(H,16,17,18).
What are the key properties of 9-methoxy-6,6-dimethyl-1,5-dihydrobenzo[h]quinazolin-2-one?
9-methoxy-6,6-dimethyl-1,5-dihydrobenzo[h]quinazolin-2-one has a molecular weight of 256.31 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-6,6-dimethyl-1,5-dihydrobenzo[h]quinazolin-2-one is sourced from PubChem (CID 57246441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).