(6-methoxy-3-pyridinyl)-(7-morpholin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone

C20H23N3O4 — CID 91920013

IUPAC(6-methoxy-3-pyridinyl)-(7-morpholin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
SMILESCOc1ccc(C(=O)N2CCOc3ccc(N4CCOCC4)cc3C2)cn1
InChIInChI=1S/C20H23N3O4/c1-25-19-5-2-15(13-21-19)20(24)23-8-11-27-18-4-3-17(12-16(18)14-23)22-6-9-26-10-7-22/h2-5,12-13H,6-11,14H2,1H3
InChIKeyYJWWRQMPPOMYHY-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.96
Rot. Bonds3

About (6-methoxy-3-pyridinyl)-(7-morpholin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone

(6-methoxy-3-pyridinyl)-(7-morpholin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone (PubChem CID 91920013) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is (6-methoxy-3-pyridinyl)-(7-morpholin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone.

Molecular Properties

Compound Name(6-methoxy-3-pyridinyl)-(7-morpholin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
PubChem CID91920013
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name(6-methoxy-3-pyridinyl)-(7-morpholin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
SMILESCOc1ccc(C(=O)N2CCOc3ccc(N4CCOCC4)cc3C2)cn1
InChIInChI=1S/C20H23N3O4/c1-25-19-5-2-15(13-21-19)20(24)23-8-11-27-18-4-3-17(12-16(18)14-23)22-6-9-26-10-7-22/h2-5,12-13H,6-11,14H2,1H3
InChIKeyYJWWRQMPPOMYHY-UHFFFAOYSA-N
XLogP1.96
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze (6-methoxy-3-pyridinyl)-(7-morpholin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

6-methoxy-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide
CID 134053283
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 79410382
(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-3-pyridinyl)methanone
CID 41310564
[6-[(2R)-1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 92623624
[7-(hydroxymethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-methoxyphenyl)methanone
CID 144692530
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 134063116
[7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-methylsulfanylphenyl)methanone
CID 42331742
(6-methoxy-3-pyridinyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342965
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone
CID 27661534
[(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124757534
[(4R,5S)-4,5-dihydroxy-2-oxa-8-azabicyclo[11.4.0]heptadeca-1(17),13,15-trien-8-yl]-(6-methoxy-3-pyridinyl)methanone
CID 110070091
(6-methoxy-3-pyridinyl)-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 91918773

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-pyridinyl)-(7-morpholin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone?
The IUPAC name of (6-methoxy-3-pyridinyl)-(7-morpholin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone (CID 91920013) is (6-methoxy-3-pyridinyl)-(7-morpholin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone.
What is the SMILES notation for (6-methoxy-3-pyridinyl)-(7-morpholin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone?
The canonical SMILES for (6-methoxy-3-pyridinyl)-(7-morpholin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone is COc1ccc(C(=O)N2CCOc3ccc(N4CCOCC4)cc3C2)cn1.
What is the InChIKey of (6-methoxy-3-pyridinyl)-(7-morpholin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone?
The InChIKey is YJWWRQMPPOMYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-25-19-5-2-15(13-21-19)20(24)23-8-11-27-18-4-3-17(12-16(18)14-23)22-6-9-26-10-7-22/h2-5,12-13H,6-11,14H2,1H3.
What are the key properties of (6-methoxy-3-pyridinyl)-(7-morpholin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone?
(6-methoxy-3-pyridinyl)-(7-morpholin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone has a molecular weight of 369.42 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-pyridinyl)-(7-morpholin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone is sourced from PubChem (CID 91920013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).