4,7,7-trimethyl-6,8-dihydro-3H-quinazoline-2,5-dione

C11H14N2O2 — CID 83861412

IUPAC4,7,7-trimethyl-6,8-dihydro-3H-quinazoline-2,5-dione
SMILESCc1[nH]c(=O)nc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C11H14N2O2/c1-6-9-7(13-10(15)12-6)4-11(2,3)5-8(9)14/h4-5H2,1-3H3,(H,12,13,15)
InChIKeyHJNVPWWQSAUQAM-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.23
Rot. Bonds

About 4,7,7-trimethyl-6,8-dihydro-3H-quinazoline-2,5-dione

4,7,7-trimethyl-6,8-dihydro-3H-quinazoline-2,5-dione (PubChem CID 83861412) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 4,7,7-trimethyl-6,8-dihydro-3H-quinazoline-2,5-dione.

Molecular Properties

Compound Name4,7,7-trimethyl-6,8-dihydro-3H-quinazoline-2,5-dione
PubChem CID83861412
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name4,7,7-trimethyl-6,8-dihydro-3H-quinazoline-2,5-dione
SMILESCc1[nH]c(=O)nc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C11H14N2O2/c1-6-9-7(13-10(15)12-6)4-11(2,3)5-8(9)14/h4-5H2,1-3H3,(H,12,13,15)
InChIKeyHJNVPWWQSAUQAM-UHFFFAOYSA-N
XLogP1.23
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7,7-trimethyl-6,8-dihydro-3H-quinazoline-2,5-dione?
The IUPAC name of 4,7,7-trimethyl-6,8-dihydro-3H-quinazoline-2,5-dione (CID 83861412) is 4,7,7-trimethyl-6,8-dihydro-3H-quinazoline-2,5-dione.
What is the SMILES notation for 4,7,7-trimethyl-6,8-dihydro-3H-quinazoline-2,5-dione?
The canonical SMILES for 4,7,7-trimethyl-6,8-dihydro-3H-quinazoline-2,5-dione is Cc1[nH]c(=O)nc2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 4,7,7-trimethyl-6,8-dihydro-3H-quinazoline-2,5-dione?
The InChIKey is HJNVPWWQSAUQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-6-9-7(13-10(15)12-6)4-11(2,3)5-8(9)14/h4-5H2,1-3H3,(H,12,13,15).
What are the key properties of 4,7,7-trimethyl-6,8-dihydro-3H-quinazoline-2,5-dione?
4,7,7-trimethyl-6,8-dihydro-3H-quinazoline-2,5-dione has a molecular weight of 206.24 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7-trimethyl-6,8-dihydro-3H-quinazoline-2,5-dione is sourced from PubChem (CID 83861412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).