6-(oxolan-2-ylmethyl)benzo[d][2]benzazepine-5,7-dione

C19H17NO3 — CID 2882880

IUPAC6-(oxolan-2-ylmethyl)benzo[d][2]benzazepine-5,7-dione
SMILESO=c1c2ccccc2c2ccccc2c(=O)n1CC1CCCO1
InChIInChI=1S/C19H17NO3/c21-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19(22)20(18)12-13-6-5-11-23-13/h1-4,7-10,13H,5-6,11-12H2
InChIKeyTWXNAQPMENKMJN-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.69
Rot. Bonds2

About 6-(oxolan-2-ylmethyl)benzo[d][2]benzazepine-5,7-dione

6-(oxolan-2-ylmethyl)benzo[d][2]benzazepine-5,7-dione (PubChem CID 2882880) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 6-(oxolan-2-ylmethyl)benzo[d][2]benzazepine-5,7-dione.

Molecular Properties

Compound Name6-(oxolan-2-ylmethyl)benzo[d][2]benzazepine-5,7-dione
PubChem CID2882880
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name6-(oxolan-2-ylmethyl)benzo[d][2]benzazepine-5,7-dione
SMILESO=c1c2ccccc2c2ccccc2c(=O)n1CC1CCCO1
InChIInChI=1S/C19H17NO3/c21-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19(22)20(18)12-13-6-5-11-23-13/h1-4,7-10,13H,5-6,11-12H2
InChIKeyTWXNAQPMENKMJN-UHFFFAOYSA-N
XLogP2.69
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(oxolan-2-ylmethyl)benzo[d][2]benzazepine-5,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Morpholine, 4-(o-benzoylbenzoyl)
CID 208217
N-(cyclopropylmethyl)-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
CID 42611262
2-(Oxolan-2-ylmethyl)isoindole-1,3-dione
CID 2883188
N-(Tetrahydro-2-furanylmethyl)-1-naphthamide
CID 2932372
2-(2-Oxolanylmethyl)benzo[de]isoquinoline-1,3-dione
CID 305330
2-(5,7-dioxo-5,7-dihydro-6H-dibenzo[c,e]azepin-6-yl)ethyl propionate
CID 714766
6-(2-methoxyethyl)-5H-dibenzo[c,e]azepine-5,7(6H)-dione
CID 4231395
6-propanoyl-7H-benzo[d][2]benzazepin-5-one
CID 659284
4-[2-(2-Phenylethyl)benzoyl]morpholine
CID 1255389
N-(cyclopropylmethyl)-N-(tetrahydro-2-furanylmethyl)[1,1'-biphenyl]-4-carboxamide
CID 4017619
N-benzyl-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide
CID 44571386
N-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
CID 44571388

Frequently Asked Questions

What is the IUPAC name of 6-(oxolan-2-ylmethyl)benzo[d][2]benzazepine-5,7-dione?
The IUPAC name of 6-(oxolan-2-ylmethyl)benzo[d][2]benzazepine-5,7-dione (CID 2882880) is 6-(oxolan-2-ylmethyl)benzo[d][2]benzazepine-5,7-dione.
What is the SMILES notation for 6-(oxolan-2-ylmethyl)benzo[d][2]benzazepine-5,7-dione?
The canonical SMILES for 6-(oxolan-2-ylmethyl)benzo[d][2]benzazepine-5,7-dione is O=c1c2ccccc2c2ccccc2c(=O)n1CC1CCCO1.
What is the InChIKey of 6-(oxolan-2-ylmethyl)benzo[d][2]benzazepine-5,7-dione?
The InChIKey is TWXNAQPMENKMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c21-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19(22)20(18)12-13-6-5-11-23-13/h1-4,7-10,13H,5-6,11-12H2.
What are the key properties of 6-(oxolan-2-ylmethyl)benzo[d][2]benzazepine-5,7-dione?
6-(oxolan-2-ylmethyl)benzo[d][2]benzazepine-5,7-dione has a molecular weight of 307.35 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxolan-2-ylmethyl)benzo[d][2]benzazepine-5,7-dione is sourced from PubChem (CID 2882880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).