2,5,5-trimethyl-6,8-dihydroquinazolin-7-one

C11H14N2O — CID 83915460

IUPAC2,5,5-trimethyl-6,8-dihydroquinazolin-7-one
SMILESCc1ncc2c(n1)CC(=O)CC2(C)C
InChIInChI=1S/C11H14N2O/c1-7-12-6-9-10(13-7)4-8(14)5-11(9,2)3/h6H,4-5H2,1-3H3
InChIKeyBFWZULOUWSMWDP-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.58
Rot. Bonds

About 2,5,5-trimethyl-6,8-dihydroquinazolin-7-one

2,5,5-trimethyl-6,8-dihydroquinazolin-7-one (PubChem CID 83915460) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2,5,5-trimethyl-6,8-dihydroquinazolin-7-one.

Molecular Properties

Compound Name2,5,5-trimethyl-6,8-dihydroquinazolin-7-one
PubChem CID83915460
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2,5,5-trimethyl-6,8-dihydroquinazolin-7-one
SMILESCc1ncc2c(n1)CC(=O)CC2(C)C
InChIInChI=1S/C11H14N2O/c1-7-12-6-9-10(13-7)4-8(14)5-11(9,2)3/h6H,4-5H2,1-3H3
InChIKeyBFWZULOUWSMWDP-UHFFFAOYSA-N
XLogP1.58
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-6,8-dihydroquinazolin-7-one?
The IUPAC name of 2,5,5-trimethyl-6,8-dihydroquinazolin-7-one (CID 83915460) is 2,5,5-trimethyl-6,8-dihydroquinazolin-7-one.
What is the SMILES notation for 2,5,5-trimethyl-6,8-dihydroquinazolin-7-one?
The canonical SMILES for 2,5,5-trimethyl-6,8-dihydroquinazolin-7-one is Cc1ncc2c(n1)CC(=O)CC2(C)C.
What is the InChIKey of 2,5,5-trimethyl-6,8-dihydroquinazolin-7-one?
The InChIKey is BFWZULOUWSMWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7-12-6-9-10(13-7)4-8(14)5-11(9,2)3/h6H,4-5H2,1-3H3.
What are the key properties of 2,5,5-trimethyl-6,8-dihydroquinazolin-7-one?
2,5,5-trimethyl-6,8-dihydroquinazolin-7-one has a molecular weight of 190.25 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-6,8-dihydroquinazolin-7-one is sourced from PubChem (CID 83915460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).