13,13-dimethyl-8-(morpholine-4-carbonyl)-5H-isoindolo[2,3-b][2]benzazepin-7-one

C24H24N2O3 — CID 177478303

IUPAC13,13-dimethyl-8-(morpholine-4-carbonyl)-5H-isoindolo[2,3-b][2]benzazepin-7-one
SMILESCC1(C)C=C2c3cccc(C(=O)N4CCOCC4)c3C(=O)N2Cc2ccccc21
InChIInChI=1S/C24H24N2O3/c1-24(2)14-20-17-7-5-8-18(22(27)25-10-12-29-13-11-25)21(17)23(28)26(20)15-16-6-3-4-9-19(16)24/h3-9,14H,10-13,15H2,1-2H3
InChIKeyQCYNCTSGNDZIMB-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.45
Rot. Bonds1

About 13,13-dimethyl-8-(morpholine-4-carbonyl)-5H-isoindolo[2,3-b][2]benzazepin-7-one

13,13-dimethyl-8-(morpholine-4-carbonyl)-5H-isoindolo[2,3-b][2]benzazepin-7-one (PubChem CID 177478303) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 13,13-dimethyl-8-(morpholine-4-carbonyl)-5H-isoindolo[2,3-b][2]benzazepin-7-one.

Molecular Properties

Compound Name13,13-dimethyl-8-(morpholine-4-carbonyl)-5H-isoindolo[2,3-b][2]benzazepin-7-one
PubChem CID177478303
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name13,13-dimethyl-8-(morpholine-4-carbonyl)-5H-isoindolo[2,3-b][2]benzazepin-7-one
SMILESCC1(C)C=C2c3cccc(C(=O)N4CCOCC4)c3C(=O)N2Cc2ccccc21
InChIInChI=1S/C24H24N2O3/c1-24(2)14-20-17-7-5-8-18(22(27)25-10-12-29-13-11-25)21(17)23(28)26(20)15-16-6-3-4-9-19(16)24/h3-9,14H,10-13,15H2,1-2H3
InChIKeyQCYNCTSGNDZIMB-UHFFFAOYSA-N
XLogP3.45
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 13,13-dimethyl-8-(morpholine-4-carbonyl)-5H-isoindolo[2,3-b][2]benzazepin-7-one?
The IUPAC name of 13,13-dimethyl-8-(morpholine-4-carbonyl)-5H-isoindolo[2,3-b][2]benzazepin-7-one (CID 177478303) is 13,13-dimethyl-8-(morpholine-4-carbonyl)-5H-isoindolo[2,3-b][2]benzazepin-7-one.
What is the SMILES notation for 13,13-dimethyl-8-(morpholine-4-carbonyl)-5H-isoindolo[2,3-b][2]benzazepin-7-one?
The canonical SMILES for 13,13-dimethyl-8-(morpholine-4-carbonyl)-5H-isoindolo[2,3-b][2]benzazepin-7-one is CC1(C)C=C2c3cccc(C(=O)N4CCOCC4)c3C(=O)N2Cc2ccccc21.
What is the InChIKey of 13,13-dimethyl-8-(morpholine-4-carbonyl)-5H-isoindolo[2,3-b][2]benzazepin-7-one?
The InChIKey is QCYNCTSGNDZIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-24(2)14-20-17-7-5-8-18(22(27)25-10-12-29-13-11-25)21(17)23(28)26(20)15-16-6-3-4-9-19(16)24/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of 13,13-dimethyl-8-(morpholine-4-carbonyl)-5H-isoindolo[2,3-b][2]benzazepin-7-one?
13,13-dimethyl-8-(morpholine-4-carbonyl)-5H-isoindolo[2,3-b][2]benzazepin-7-one has a molecular weight of 388.47 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13,13-dimethyl-8-(morpholine-4-carbonyl)-5H-isoindolo[2,3-b][2]benzazepin-7-one is sourced from PubChem (CID 177478303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).