2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)ethanone

C18H18N2O4 — CID 136520539

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)ethanone
SMILESCc1ccc2c(n1)OCCN2C(=O)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H18N2O4/c1-12-2-4-14-18(19-12)24-7-6-20(14)17(21)11-13-3-5-15-16(10-13)23-9-8-22-15/h2-5,10H,6-9,11H2,1H3
InChIKeyFXAKZJCDSYPMLS-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.13
Rot. Bonds2

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)ethanone

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)ethanone (PubChem CID 136520539) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)ethanone
PubChem CID136520539
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)ethanone
SMILESCc1ccc2c(n1)OCCN2C(=O)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H18N2O4/c1-12-2-4-14-18(19-12)24-7-6-20(14)17(21)11-13-3-5-15-16(10-13)23-9-8-22-15/h2-5,10H,6-9,11H2,1H3
InChIKeyFXAKZJCDSYPMLS-UHFFFAOYSA-N
XLogP2.13
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 100673948
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-ylethanone
CID 30147853
4-ethyl-5-methyl-2-[2-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-oxoethyl]-1,2,4-triazol-3-one
CID 167913694
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone
CID 8891480
2-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 110613115
1-[2-(1,3-benzodioxol-5-yl)acetyl]pyrrolidin-2-one
CID 14127905
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110609295
1-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110799872
2-(1,3-benzodioxol-5-yl)-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 71938374
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]ethanone
CID 124590253
1-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-fluorophenyl)ethanone
CID 110639441
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 46693300

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)ethanone?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)ethanone (CID 136520539) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)ethanone?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)ethanone is Cc1ccc2c(n1)OCCN2C(=O)Cc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)ethanone?
The InChIKey is FXAKZJCDSYPMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-12-2-4-14-18(19-12)24-7-6-20(14)17(21)11-13-3-5-15-16(10-13)23-9-8-22-15/h2-5,10H,6-9,11H2,1H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)ethanone?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)ethanone has a molecular weight of 326.35 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)ethanone is sourced from PubChem (CID 136520539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).