1,3-dimethyl-5-(2-morpholin-4-ylbenzoyl)-4,5-dihydro-3H-1-benzazepin-2-one

C23H26N2O3 — CID 175807938

IUPAC1,3-dimethyl-5-(2-morpholin-4-ylbenzoyl)-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCC1CC(C(=O)c2ccccc2N2CCOCC2)c2ccccc2N(C)C1=O
InChIInChI=1S/C23H26N2O3/c1-16-15-19(17-7-3-5-9-20(17)24(2)23(16)27)22(26)18-8-4-6-10-21(18)25-11-13-28-14-12-25/h3-10,16,19H,11-15H2,1-2H3
InChIKeyKSKXLYGGRWDHMO-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.49
Rot. Bonds3

About 1,3-dimethyl-5-(2-morpholin-4-ylbenzoyl)-4,5-dihydro-3H-1-benzazepin-2-one

1,3-dimethyl-5-(2-morpholin-4-ylbenzoyl)-4,5-dihydro-3H-1-benzazepin-2-one (PubChem CID 175807938) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2-morpholin-4-ylbenzoyl)-4,5-dihydro-3H-1-benzazepin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-(2-morpholin-4-ylbenzoyl)-4,5-dihydro-3H-1-benzazepin-2-one
PubChem CID175807938
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name1,3-dimethyl-5-(2-morpholin-4-ylbenzoyl)-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCC1CC(C(=O)c2ccccc2N2CCOCC2)c2ccccc2N(C)C1=O
InChIInChI=1S/C23H26N2O3/c1-16-15-19(17-7-3-5-9-20(17)24(2)23(16)27)22(26)18-8-4-6-10-21(18)25-11-13-28-14-12-25/h3-10,16,19H,11-15H2,1-2H3
InChIKeyKSKXLYGGRWDHMO-UHFFFAOYSA-N
XLogP3.49
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,3-dimethyl-5-(2-morpholin-4-ylbenzoyl)-4,5-dihydro-3H-1-benzazepin-2-one with MolForge

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Related Compounds

2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid
CID 117341791
3-amino-1,5-dimethyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 22312414
[3-(2-chlorophenyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 118778888
(2S,4S)-1-methyl-4-[(2-morpholin-4-ylbenzoyl)amino]pyrrolidine-2-carboxylic acid
CID 118763707
2-morpholin-4-ylbenzohydrazide
CID 7148386
4-(2-morpholin-4-ylphenyl)piperazine-1-carbonyl chloride
CID 118526836
[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 136545301
2-chloro-3-morpholin-4-ylbenzoic acid
CID 155573324
(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-morpholin-4-ylphenyl)methanone
CID 70760152
4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2-morpholin-4-ylphenyl)methanone
CID 51100287
(2-morpholin-4-ylphenyl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 95321116
(4S)-1-methyl-N-[(1R,2R)-1-morpholin-4-yl-2,3-dihydro-1H-inden-2-yl]-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 134330963

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(2-morpholin-4-ylbenzoyl)-4,5-dihydro-3H-1-benzazepin-2-one?
The IUPAC name of 1,3-dimethyl-5-(2-morpholin-4-ylbenzoyl)-4,5-dihydro-3H-1-benzazepin-2-one (CID 175807938) is 1,3-dimethyl-5-(2-morpholin-4-ylbenzoyl)-4,5-dihydro-3H-1-benzazepin-2-one.
What is the SMILES notation for 1,3-dimethyl-5-(2-morpholin-4-ylbenzoyl)-4,5-dihydro-3H-1-benzazepin-2-one?
The canonical SMILES for 1,3-dimethyl-5-(2-morpholin-4-ylbenzoyl)-4,5-dihydro-3H-1-benzazepin-2-one is CC1CC(C(=O)c2ccccc2N2CCOCC2)c2ccccc2N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-5-(2-morpholin-4-ylbenzoyl)-4,5-dihydro-3H-1-benzazepin-2-one?
The InChIKey is KSKXLYGGRWDHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-16-15-19(17-7-3-5-9-20(17)24(2)23(16)27)22(26)18-8-4-6-10-21(18)25-11-13-28-14-12-25/h3-10,16,19H,11-15H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(2-morpholin-4-ylbenzoyl)-4,5-dihydro-3H-1-benzazepin-2-one?
1,3-dimethyl-5-(2-morpholin-4-ylbenzoyl)-4,5-dihydro-3H-1-benzazepin-2-one has a molecular weight of 378.47 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(2-morpholin-4-ylbenzoyl)-4,5-dihydro-3H-1-benzazepin-2-one is sourced from PubChem (CID 175807938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).