2-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-10H-acridin-9-one

C24H21N3O2 — CID 154840863

IUPAC2-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-10H-acridin-9-one
SMILESCN1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)Cc2ccccc21
InChIInChI=1S/C24H21N3O2/c1-26-12-13-27(15-17-6-2-5-9-22(17)26)24(29)16-10-11-21-19(14-16)23(28)18-7-3-4-8-20(18)25-21/h2-11,14H,12-13,15H2,1H3,(H,25,28)
InChIKeyDQUHRFXFIPWWGR-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.77
Rot. Bonds1

About 2-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-10H-acridin-9-one

2-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-10H-acridin-9-one (PubChem CID 154840863) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-10H-acridin-9-one.

Molecular Properties

Compound Name2-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-10H-acridin-9-one
PubChem CID154840863
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name2-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-10H-acridin-9-one
SMILESCN1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)Cc2ccccc21
InChIInChI=1S/C24H21N3O2/c1-26-12-13-27(15-17-6-2-5-9-22(17)26)24(29)16-10-11-21-19(14-16)23(28)18-7-3-4-8-20(18)25-21/h2-11,14H,12-13,15H2,1H3,(H,25,28)
InChIKeyDQUHRFXFIPWWGR-UHFFFAOYSA-N
XLogP3.77
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-methylpiperazin-2-one
CID 64694144
3,4-dihydro-1H-isoquinolin-2-yl-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 4788431
9-oxo-N-sulfanyl-10H-acridine-3-carboxamide
CID 142264856
[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(9H-carbazol-3-yl)methanone
CID 139458547
7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-3-carboxylic acid
CID 18344486
2-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-1H-quinolin-4-one
CID 122137750
4-(1,3-dihydroisoindole-2-carbonyl)-1H-quinolin-2-one
CID 72892217
2-amino-2-methyl-1-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)propan-1-one;dihydrochloride
CID 119876914
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane
CID 90939428
N-(1,4-dimethylpiperidin-4-yl)-2-methyl-9-oxo-10H-acridine-3-carboxamide
CID 59019622
N-(3-acetamidophenyl)-1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
CID 136523247
10H-acridin-9-one;ethane
CID 91525380

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-10H-acridin-9-one?
The IUPAC name of 2-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-10H-acridin-9-one (CID 154840863) is 2-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-10H-acridin-9-one.
What is the SMILES notation for 2-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-10H-acridin-9-one?
The canonical SMILES for 2-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-10H-acridin-9-one is CN1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)Cc2ccccc21.
What is the InChIKey of 2-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-10H-acridin-9-one?
The InChIKey is DQUHRFXFIPWWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-26-12-13-27(15-17-6-2-5-9-22(17)26)24(29)16-10-11-21-19(14-16)23(28)18-7-3-4-8-20(18)25-21/h2-11,14H,12-13,15H2,1H3,(H,25,28).
What are the key properties of 2-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-10H-acridin-9-one?
2-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-10H-acridin-9-one has a molecular weight of 383.45 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-10H-acridin-9-one is sourced from PubChem (CID 154840863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).