5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione

C14H14N2O2 — CID 39841289

IUPAC5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
SMILESCC1(C)Cc2ccccc2-c2[nH]c(=O)[nH]c(=O)c21
InChIInChI=1S/C14H14N2O2/c1-14(2)7-8-5-3-4-6-9(8)11-10(14)12(17)16-13(18)15-11/h3-6H,7H2,1-2H3,(H2,15,16,17,18)
InChIKeyNKNVKEONTIMCKE-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.56
Rot. Bonds

About 5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione

5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione (PubChem CID 39841289) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
PubChem CID39841289
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
SMILESCC1(C)Cc2ccccc2-c2[nH]c(=O)[nH]c(=O)c21
InChIInChI=1S/C14H14N2O2/c1-14(2)7-8-5-3-4-6-9(8)11-10(14)12(17)16-13(18)15-11/h3-6H,7H2,1-2H3,(H2,15,16,17,18)
InChIKeyNKNVKEONTIMCKE-UHFFFAOYSA-N
XLogP1.56
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione?
The IUPAC name of 5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione (CID 39841289) is 5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione?
The canonical SMILES for 5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione is CC1(C)Cc2ccccc2-c2[nH]c(=O)[nH]c(=O)c21.
What is the InChIKey of 5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione?
The InChIKey is NKNVKEONTIMCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-14(2)7-8-5-3-4-6-9(8)11-10(14)12(17)16-13(18)15-11/h3-6H,7H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione?
5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione has a molecular weight of 242.28 g/mol, XLogP of 1.56, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione is sourced from PubChem (CID 39841289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).