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

C16H16N2O2 — CID 166830056

IUPAC8-methyl-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one
SMILESCCCN1C(=O)c2cc(C)ccc2Oc2cccnc21
InChIInChI=1S/C16H16N2O2/c1-3-9-18-15-14(5-4-8-17-15)20-13-7-6-11(2)10-12(13)16(18)19/h4-8,10H,3,9H2,1-2H3
InChIKeyVIVHVKVZVKYUJX-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.55
Rot. Bonds2

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

8-methyl-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one (PubChem CID 166830056) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 8-methyl-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one.

Molecular Properties

Compound Name8-methyl-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one
PubChem CID166830056
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name8-methyl-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one
SMILESCCCN1C(=O)c2cc(C)ccc2Oc2cccnc21
InChIInChI=1S/C16H16N2O2/c1-3-9-18-15-14(5-4-8-17-15)20-13-7-6-11(2)10-12(13)16(18)19/h4-8,10H,3,9H2,1-2H3
InChIKeyVIVHVKVZVKYUJX-UHFFFAOYSA-N
XLogP3.55
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(azepan-1-ylsulfonyl)-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one
CID 53173654
5-butyl-8-methylsulfonylpyrido[3,2-b][1,4]benzoxazepin-6-one
CID 137451562
8-morpholin-4-ylsulfonyl-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one
CID 53173682
8-[(2S)-2-ethylpiperidin-1-yl]sulfonyl-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one
CID 95102349
5-butyl-6-oxo-N-propan-2-ylpyrido[3,2-b][1,4]benzoxazepine-8-sulfonamide
CID 53173685
N-benzyl-5-ethyl-6-oxopyrido[3,2-b][1,4]benzoxazepine-8-sulfonamide
CID 53173610
5-ethyl-N-(2-ethylphenyl)-6-oxopyrido[3,2-b][1,4]benzoxazepine-8-sulfonamide
CID 53173634
N-(4-chlorophenyl)-5-ethyl-6-oxopyrido[3,2-b][1,4]benzoxazepine-8-sulfonamide
CID 53173619
5-ethyl-N-(5-fluoro-2-methylphenyl)-6-oxopyrido[3,2-b][1,4]benzoxazepine-8-sulfonamide
CID 53173623
N-(3,4-dimethylphenyl)-5-methyl-6-oxopyrido[3,2-b][1,4]benzoxazepine-8-sulfonamide
CID 53173570
3,7-dimethyl-4-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-1,4-benzoxazepin-5-one
CID 18327958
5-methyl-1-benzofuran-2,3-dione
CID 56974146

Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one?
The IUPAC name of 8-methyl-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one (CID 166830056) is 8-methyl-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one.
What is the SMILES notation for 8-methyl-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one?
The canonical SMILES for 8-methyl-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one is CCCN1C(=O)c2cc(C)ccc2Oc2cccnc21.
What is the InChIKey of 8-methyl-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one?
The InChIKey is VIVHVKVZVKYUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-3-9-18-15-14(5-4-8-17-15)20-13-7-6-11(2)10-12(13)16(18)19/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 8-methyl-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one?
8-methyl-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one has a molecular weight of 268.32 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one is sourced from PubChem (CID 166830056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).