5,6-dihydro-1H-benzo[h]quinazoline-2,4-dione

C12H10N2O2 — CID 15857128

IUPAC5,6-dihydro-1H-benzo[h]quinazoline-2,4-dione
SMILESO=c1[nH]c2c(c(=O)[nH]1)CCc1ccccc1-2
InChIInChI=1S/C12H10N2O2/c15-11-9-6-5-7-3-1-2-4-8(7)10(9)13-12(16)14-11/h1-4H,5-6H2,(H2,13,14,15,16)
InChIKeySGRJMNANKWHMBS-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.83
Rot. Bonds

About 5,6-dihydro-1H-benzo[h]quinazoline-2,4-dione

5,6-dihydro-1H-benzo[h]quinazoline-2,4-dione (PubChem CID 15857128) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 5,6-dihydro-1H-benzo[h]quinazoline-2,4-dione.

Molecular Properties

Compound Name5,6-dihydro-1H-benzo[h]quinazoline-2,4-dione
PubChem CID15857128
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name5,6-dihydro-1H-benzo[h]quinazoline-2,4-dione
SMILESO=c1[nH]c2c(c(=O)[nH]1)CCc1ccccc1-2
InChIInChI=1S/C12H10N2O2/c15-11-9-6-5-7-3-1-2-4-8(7)10(9)13-12(16)14-11/h1-4H,5-6H2,(H2,13,14,15,16)
InChIKeySGRJMNANKWHMBS-UHFFFAOYSA-N
XLogP0.83
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-1H-benzo[h]quinazoline-2,4-dione?
The IUPAC name of 5,6-dihydro-1H-benzo[h]quinazoline-2,4-dione (CID 15857128) is 5,6-dihydro-1H-benzo[h]quinazoline-2,4-dione.
What is the SMILES notation for 5,6-dihydro-1H-benzo[h]quinazoline-2,4-dione?
The canonical SMILES for 5,6-dihydro-1H-benzo[h]quinazoline-2,4-dione is O=c1[nH]c2c(c(=O)[nH]1)CCc1ccccc1-2.
What is the InChIKey of 5,6-dihydro-1H-benzo[h]quinazoline-2,4-dione?
The InChIKey is SGRJMNANKWHMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c15-11-9-6-5-7-3-1-2-4-8(7)10(9)13-12(16)14-11/h1-4H,5-6H2,(H2,13,14,15,16).
What are the key properties of 5,6-dihydro-1H-benzo[h]quinazoline-2,4-dione?
5,6-dihydro-1H-benzo[h]quinazoline-2,4-dione has a molecular weight of 214.22 g/mol, XLogP of 0.83, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-1H-benzo[h]quinazoline-2,4-dione is sourced from PubChem (CID 15857128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).