6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione

C16H11N3O2 — CID 10802469

IUPAC6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
SMILESO=C1NCc2nc3ccccc3c(=O)n2-c2ccccc21
InChIInChI=1S/C16H11N3O2/c20-15-11-6-2-4-8-13(11)19-14(9-17-15)18-12-7-3-1-5-10(12)16(19)21/h1-8H,9H2,(H,17,20)
InChIKeyNGYKOTTXJAPLPC-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.63
Rot. Bonds

About 6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione

6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione (PubChem CID 10802469) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione.

Molecular Properties

Compound Name6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
PubChem CID10802469
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
SMILESO=C1NCc2nc3ccccc3c(=O)n2-c2ccccc21
InChIInChI=1S/C16H11N3O2/c20-15-11-6-2-4-8-13(11)19-14(9-17-15)18-12-7-3-1-5-10(12)16(19)21/h1-8H,9H2,(H,17,20)
InChIKeyNGYKOTTXJAPLPC-UHFFFAOYSA-N
XLogP1.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione?
The IUPAC name of 6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione (CID 10802469) is 6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione.
What is the SMILES notation for 6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione?
The canonical SMILES for 6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione is O=C1NCc2nc3ccccc3c(=O)n2-c2ccccc21.
What is the InChIKey of 6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione?
The InChIKey is NGYKOTTXJAPLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c20-15-11-6-2-4-8-13(11)19-14(9-17-15)18-12-7-3-1-5-10(12)16(19)21/h1-8H,9H2,(H,17,20).
What are the key properties of 6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione?
6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione has a molecular weight of 277.28 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione is sourced from PubChem (CID 10802469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).