(8-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-[2-(pyridin-3-ylmethoxy)phenyl]methanone

C23H22N2O4 — CID 126798134

IUPAC(8-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-[2-(pyridin-3-ylmethoxy)phenyl]methanone
SMILESCOc1ccc2c(c1)OCCN(C(=O)c1ccccc1OCc1cccnc1)C2
InChIInChI=1S/C23H22N2O4/c1-27-19-9-8-18-15-25(11-12-28-22(18)13-19)23(26)20-6-2-3-7-21(20)29-16-17-5-4-10-24-14-17/h2-10,13-14H,11-12,15-16H2,1H3
InChIKeyDUCOEDBBSBSKOD-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.70
Rot. Bonds5

About (8-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-[2-(pyridin-3-ylmethoxy)phenyl]methanone

(8-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-[2-(pyridin-3-ylmethoxy)phenyl]methanone (PubChem CID 126798134) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is (8-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-[2-(pyridin-3-ylmethoxy)phenyl]methanone.

Molecular Properties

Compound Name(8-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-[2-(pyridin-3-ylmethoxy)phenyl]methanone
PubChem CID126798134
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name(8-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-[2-(pyridin-3-ylmethoxy)phenyl]methanone
SMILESCOc1ccc2c(c1)OCCN(C(=O)c1ccccc1OCc1cccnc1)C2
InChIInChI=1S/C23H22N2O4/c1-27-19-9-8-18-15-25(11-12-28-22(18)13-19)23(26)20-6-2-3-7-21(20)29-16-17-5-4-10-24-14-17/h2-10,13-14H,11-12,15-16H2,1H3
InChIKeyDUCOEDBBSBSKOD-UHFFFAOYSA-N
XLogP3.70
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (8-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-[2-(pyridin-3-ylmethoxy)phenyl]methanone 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

(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone
CID 110726074
(E)-1-(2,4-dimethoxyphenyl)-3-[2-(pyridin-3-ylmethoxy)phenyl]prop-2-en-1-one
CID 52643113
8-methoxy-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 166182588
(2-methoxyphenyl)-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]methanone
CID 4744231
[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-[2-(pyridin-3-ylmethoxy)phenyl]methanone
CID 97215439
3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[4-(methylamino)-3-pyridinyl]methanone
CID 81235633
trifluoro-[5-methoxy-2-(pyridin-3-ylmethoxy)phenyl]boranuide
CID 104706185
(4-amino-3-pyridinyl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
CID 81241112
1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-(4-methoxyphenyl)ethanone
CID 50840918
N-[(2R)-1-amino-1-oxopropan-2-yl]-N-methyl-2-(pyridin-3-ylmethoxy)benzamide
CID 126806118
(9-hydroxy-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(4-methoxyphenyl)methanone
CID 56714661
N-hydroxy-4-[(3-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 172715872

Frequently Asked Questions

What is the IUPAC name of (8-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-[2-(pyridin-3-ylmethoxy)phenyl]methanone?
The IUPAC name of (8-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-[2-(pyridin-3-ylmethoxy)phenyl]methanone (CID 126798134) is (8-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-[2-(pyridin-3-ylmethoxy)phenyl]methanone.
What is the SMILES notation for (8-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-[2-(pyridin-3-ylmethoxy)phenyl]methanone?
The canonical SMILES for (8-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-[2-(pyridin-3-ylmethoxy)phenyl]methanone is COc1ccc2c(c1)OCCN(C(=O)c1ccccc1OCc1cccnc1)C2.
What is the InChIKey of (8-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-[2-(pyridin-3-ylmethoxy)phenyl]methanone?
The InChIKey is DUCOEDBBSBSKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-27-19-9-8-18-15-25(11-12-28-22(18)13-19)23(26)20-6-2-3-7-21(20)29-16-17-5-4-10-24-14-17/h2-10,13-14H,11-12,15-16H2,1H3.
What are the key properties of (8-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-[2-(pyridin-3-ylmethoxy)phenyl]methanone?
(8-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-[2-(pyridin-3-ylmethoxy)phenyl]methanone has a molecular weight of 390.44 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-[2-(pyridin-3-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 126798134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).