5-acetyl-6,7-dihydroquinazolino[3,2-a][1,5]benzodiazepin-13-one

C18H15N3O2 — CID 139224777

IUPAC5-acetyl-6,7-dihydroquinazolino[3,2-a][1,5]benzodiazepin-13-one
SMILESCC(=O)N1CCc2nc3ccccc3c(=O)n2-c2ccccc21
InChIInChI=1S/C18H15N3O2/c1-12(22)20-11-10-17-19-14-7-3-2-6-13(14)18(23)21(17)16-9-5-4-8-15(16)20/h2-9H,10-11H2,1H3
InChIKeyNYWCKYQZCGCJLY-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.29
Rot. Bonds

About 5-acetyl-6,7-dihydroquinazolino[3,2-a][1,5]benzodiazepin-13-one

5-acetyl-6,7-dihydroquinazolino[3,2-a][1,5]benzodiazepin-13-one (PubChem CID 139224777) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 5-acetyl-6,7-dihydroquinazolino[3,2-a][1,5]benzodiazepin-13-one.

Molecular Properties

Compound Name5-acetyl-6,7-dihydroquinazolino[3,2-a][1,5]benzodiazepin-13-one
PubChem CID139224777
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name5-acetyl-6,7-dihydroquinazolino[3,2-a][1,5]benzodiazepin-13-one
SMILESCC(=O)N1CCc2nc3ccccc3c(=O)n2-c2ccccc21
InChIInChI=1S/C18H15N3O2/c1-12(22)20-11-10-17-19-14-7-3-2-6-13(14)18(23)21(17)16-9-5-4-8-15(16)20/h2-9H,10-11H2,1H3
InChIKeyNYWCKYQZCGCJLY-UHFFFAOYSA-N
XLogP2.29
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 131876705
CID 131876705
2-[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]sulfanyl-3-(3-methoxyphenyl)quinazolin-4-one
CID 46644254
2-methyl-3-(2-morpholin-4-ylphenyl)quinazolin-4-one
CID 45258529
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(3,5-dimethylphenyl)quinazolin-4-one
CID 3945450
2-(2-formyl-4-oxoquinazolin-3-yl)benzoic acid
CID 86233733
3-(3-chlorophenyl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 2081724
2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfanyl-3-(3,4-dimethoxyphenyl)quinazolin-4-one
CID 2661745
3-[4-(1-acetylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one;ethane
CID 162117435
1-acetyl-5-(2-methylpropyl)-2,3-dihydro-1,5-benzodiazepin-4-one
CID 4022666
3-(2-methylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one
CID 2588505
2-(3-oxobutylsulfanyl)-3-(2-propan-2-ylphenyl)quinazolin-4-one
CID 7503627
1-acetyl-5-prop-2-enyl-2,3-dihydro-1,5-benzodiazepin-4-one
CID 702392

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6,7-dihydroquinazolino[3,2-a][1,5]benzodiazepin-13-one?
The IUPAC name of 5-acetyl-6,7-dihydroquinazolino[3,2-a][1,5]benzodiazepin-13-one (CID 139224777) is 5-acetyl-6,7-dihydroquinazolino[3,2-a][1,5]benzodiazepin-13-one.
What is the SMILES notation for 5-acetyl-6,7-dihydroquinazolino[3,2-a][1,5]benzodiazepin-13-one?
The canonical SMILES for 5-acetyl-6,7-dihydroquinazolino[3,2-a][1,5]benzodiazepin-13-one is CC(=O)N1CCc2nc3ccccc3c(=O)n2-c2ccccc21.
What is the InChIKey of 5-acetyl-6,7-dihydroquinazolino[3,2-a][1,5]benzodiazepin-13-one?
The InChIKey is NYWCKYQZCGCJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-12(22)20-11-10-17-19-14-7-3-2-6-13(14)18(23)21(17)16-9-5-4-8-15(16)20/h2-9H,10-11H2,1H3.
What are the key properties of 5-acetyl-6,7-dihydroquinazolino[3,2-a][1,5]benzodiazepin-13-one?
5-acetyl-6,7-dihydroquinazolino[3,2-a][1,5]benzodiazepin-13-one has a molecular weight of 305.34 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6,7-dihydroquinazolino[3,2-a][1,5]benzodiazepin-13-one is sourced from PubChem (CID 139224777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).