8-morpholin-4-ylsulfonyl-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one

C19H21N3O5S — CID 53173682

IUPAC8-morpholin-4-ylsulfonyl-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one
SMILESCCCN1C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Oc2cccnc21
InChIInChI=1S/C19H21N3O5S/c1-2-8-22-18-17(4-3-7-20-18)27-16-6-5-14(13-15(16)19(22)23)28(24,25)21-9-11-26-12-10-21/h3-7,13H,2,8-12H2,1H3
InChIKeyICUGUSUYTULUIF-UHFFFAOYSA-N
MW403.46 g/mol
LogP2.27
Rot. Bonds4

About 8-morpholin-4-ylsulfonyl-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one

8-morpholin-4-ylsulfonyl-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one (PubChem CID 53173682) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is 8-morpholin-4-ylsulfonyl-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one.

Molecular Properties

Compound Name8-morpholin-4-ylsulfonyl-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one
PubChem CID53173682
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC Name8-morpholin-4-ylsulfonyl-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one
SMILESCCCN1C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Oc2cccnc21
InChIInChI=1S/C19H21N3O5S/c1-2-8-22-18-17(4-3-7-20-18)27-16-6-5-14(13-15(16)19(22)23)28(24,25)21-9-11-26-12-10-21/h3-7,13H,2,8-12H2,1H3
InChIKeyICUGUSUYTULUIF-UHFFFAOYSA-N
XLogP2.27
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-(azepan-1-ylsulfonyl)-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one
CID 53173654
8-[(2S)-2-ethylpiperidin-1-yl]sulfonyl-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one
CID 95102349
8-methyl-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one
CID 166830056
3,5-dimethyl-8-morpholin-4-ylsulfonylbenzo[b][1,4]benzoxazepin-6-one
CID 26435664
4-ethyl-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one
CID 100830352
N-(1,3-benzodioxol-5-yl)-5-methyl-6-oxopyrido[3,2-b][1,4]benzoxazepine-8-sulfonamide
CID 53173550
5-morpholin-4-ylsulfonyl-1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]indole-2,3-dione
CID 4574907
(3Z)-1-ethyl-5-morpholin-4-ylsulfonyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylidene]indol-2-one
CID 6239524
3-(1,4-oxazepan-4-ylsulfonyl)-N-propylpyridin-2-amine
CID 62966790
2,7-bis(1,4-oxazepan-4-ylsulfonyl)anthracene-9,10-dione
CID 46851999
4-[2-[4-(1,3-benzodioxol-5-ylsulfonyl)piperazin-1-yl]ethyl]morpholine
CID 113073744
N,N-diethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 631492

Frequently Asked Questions

What is the IUPAC name of 8-morpholin-4-ylsulfonyl-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one?
The IUPAC name of 8-morpholin-4-ylsulfonyl-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one (CID 53173682) is 8-morpholin-4-ylsulfonyl-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one.
What is the SMILES notation for 8-morpholin-4-ylsulfonyl-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one?
The canonical SMILES for 8-morpholin-4-ylsulfonyl-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one is CCCN1C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Oc2cccnc21.
What is the InChIKey of 8-morpholin-4-ylsulfonyl-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one?
The InChIKey is ICUGUSUYTULUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-2-8-22-18-17(4-3-7-20-18)27-16-6-5-14(13-15(16)19(22)23)28(24,25)21-9-11-26-12-10-21/h3-7,13H,2,8-12H2,1H3.
What are the key properties of 8-morpholin-4-ylsulfonyl-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one?
8-morpholin-4-ylsulfonyl-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one has a molecular weight of 403.46 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-morpholin-4-ylsulfonyl-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one is sourced from PubChem (CID 53173682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).