(7Z)-7-benzylidene-6-methylquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione

C24H17N3O2 — CID 15837614

IUPAC(7Z)-7-benzylidene-6-methylquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
SMILESCN1C(=O)c2ccccc2-n2c(nc3ccccc3c2=O)/C1=C/c1ccccc1
InChIInChI=1S/C24H17N3O2/c1-26-21(15-16-9-3-2-4-10-16)22-25-19-13-7-5-11-17(19)24(29)27(22)20-14-8-6-12-18(20)23(26)28/h2-15H,1H3/b21-15-
InChIKeyHXDZMNFJQNZXKW-QNGOZBTKSA-N
MW379.42 g/mol
LogP3.97
Rot. Bonds1

About (7Z)-7-benzylidene-6-methylquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione

(7Z)-7-benzylidene-6-methylquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione (PubChem CID 15837614) has the molecular formula C24H17N3O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is (7Z)-7-benzylidene-6-methylquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione.

Molecular Properties

Compound Name(7Z)-7-benzylidene-6-methylquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
PubChem CID15837614
Molecular FormulaC24H17N3O2
Molecular Weight379.42 g/mol
Exact Mass379.13
IUPAC Name(7Z)-7-benzylidene-6-methylquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
SMILESCN1C(=O)c2ccccc2-n2c(nc3ccccc3c2=O)/C1=C/c1ccccc1
InChIInChI=1S/C24H17N3O2/c1-26-21(15-16-9-3-2-4-10-16)22-25-19-13-7-5-11-17(19)24(29)27(22)20-14-8-6-12-18(20)23(26)28/h2-15H,1H3/b21-15-
InChIKeyHXDZMNFJQNZXKW-QNGOZBTKSA-N
XLogP3.97
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7Z)-7-benzylidene-6-methylquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione?
The IUPAC name of (7Z)-7-benzylidene-6-methylquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione (CID 15837614) is (7Z)-7-benzylidene-6-methylquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione.
What is the SMILES notation for (7Z)-7-benzylidene-6-methylquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione?
The canonical SMILES for (7Z)-7-benzylidene-6-methylquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione is CN1C(=O)c2ccccc2-n2c(nc3ccccc3c2=O)/C1=C/c1ccccc1.
What is the InChIKey of (7Z)-7-benzylidene-6-methylquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione?
The InChIKey is HXDZMNFJQNZXKW-QNGOZBTKSA-N. The full InChI is InChI=1S/C24H17N3O2/c1-26-21(15-16-9-3-2-4-10-16)22-25-19-13-7-5-11-17(19)24(29)27(22)20-14-8-6-12-18(20)23(26)28/h2-15H,1H3/b21-15-.
What are the key properties of (7Z)-7-benzylidene-6-methylquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione?
(7Z)-7-benzylidene-6-methylquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione has a molecular weight of 379.42 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-benzylidene-6-methylquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione is sourced from PubChem (CID 15837614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).