1,6-bis(2,4-dimethoxyphenyl)-2,7-dihydro-[1,3]oxazino[4,5-g][3,1]benzoxazine-4,9-dione

C26H24N2O8 — CID 21058600

IUPAC1,6-bis(2,4-dimethoxyphenyl)-2,7-dihydro-[1,3]oxazino[4,5-g][3,1]benzoxazine-4,9-dione
SMILESCOc1ccc(N2COC(=O)c3cc4c(cc32)C(=O)OCN4c2ccc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C26H24N2O8/c1-31-15-5-7-19(23(9-15)33-3)27-13-35-25(29)17-12-22-18(11-21(17)27)26(30)36-14-28(22)20-8-6-16(32-2)10-24(20)34-4/h5-12H,13-14H2,1-4H3
InChIKeyQFTJSYGBAJZADQ-UHFFFAOYSA-N
MW492.48 g/mol
LogP4.25
Rot. Bonds6

About 1,6-bis(2,4-dimethoxyphenyl)-2,7-dihydro-[1,3]oxazino[4,5-g][3,1]benzoxazine-4,9-dione

1,6-bis(2,4-dimethoxyphenyl)-2,7-dihydro-[1,3]oxazino[4,5-g][3,1]benzoxazine-4,9-dione (PubChem CID 21058600) has the molecular formula C26H24N2O8 and a molecular weight of 492.48 g/mol. Its IUPAC name is 1,6-bis(2,4-dimethoxyphenyl)-2,7-dihydro-[1,3]oxazino[4,5-g][3,1]benzoxazine-4,9-dione.

Molecular Properties

Compound Name1,6-bis(2,4-dimethoxyphenyl)-2,7-dihydro-[1,3]oxazino[4,5-g][3,1]benzoxazine-4,9-dione
PubChem CID21058600
Molecular FormulaC26H24N2O8
Molecular Weight492.48 g/mol
Exact Mass492.15
IUPAC Name1,6-bis(2,4-dimethoxyphenyl)-2,7-dihydro-[1,3]oxazino[4,5-g][3,1]benzoxazine-4,9-dione
SMILESCOc1ccc(N2COC(=O)c3cc4c(cc32)C(=O)OCN4c2ccc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C26H24N2O8/c1-31-15-5-7-19(23(9-15)33-3)27-13-35-25(29)17-12-22-18(11-21(17)27)26(30)36-14-28(22)20-8-6-16(32-2)10-24(20)34-4/h5-12H,13-14H2,1-4H3
InChIKeyQFTJSYGBAJZADQ-UHFFFAOYSA-N
XLogP4.25
TPSA96.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.48
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

1-(2,4-dimethoxyphenyl)piperidine-2,3-dione
CID 117013794
11-(2,4-dimethoxyphenyl)-11-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene-10,12-dione
CID 58779473
(1S,2S,6S,7S)-4-(2,4-dimethoxyphenyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 98154970
(4R)-1-(2,4-dimethoxyphenyl)-4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9351549
8-methoxy-2,3-dihydro-1,4-benzodioxepin-5-one
CID 102049944
4-(benzenesulfonyl)-1-(2,4-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 42847493
(3R)-1-(2,4-dimethoxyphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 40720280
6-(2,4-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 3576682
(3R)-1-(2,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-3-methylpiperazin-2-one
CID 93321609
9-(2,4-dimethoxyphenyl)-4-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
CID 22426269
3-(2,4-dimethoxyphenyl)-1H-imidazol-2-one
CID 103125116
(3R)-1-(2,4-dimethoxyphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
CID 51860142

Frequently Asked Questions

What is the IUPAC name of 1,6-bis(2,4-dimethoxyphenyl)-2,7-dihydro-[1,3]oxazino[4,5-g][3,1]benzoxazine-4,9-dione?
The IUPAC name of 1,6-bis(2,4-dimethoxyphenyl)-2,7-dihydro-[1,3]oxazino[4,5-g][3,1]benzoxazine-4,9-dione (CID 21058600) is 1,6-bis(2,4-dimethoxyphenyl)-2,7-dihydro-[1,3]oxazino[4,5-g][3,1]benzoxazine-4,9-dione.
What is the SMILES notation for 1,6-bis(2,4-dimethoxyphenyl)-2,7-dihydro-[1,3]oxazino[4,5-g][3,1]benzoxazine-4,9-dione?
The canonical SMILES for 1,6-bis(2,4-dimethoxyphenyl)-2,7-dihydro-[1,3]oxazino[4,5-g][3,1]benzoxazine-4,9-dione is COc1ccc(N2COC(=O)c3cc4c(cc32)C(=O)OCN4c2ccc(OC)cc2OC)c(OC)c1.
What is the InChIKey of 1,6-bis(2,4-dimethoxyphenyl)-2,7-dihydro-[1,3]oxazino[4,5-g][3,1]benzoxazine-4,9-dione?
The InChIKey is QFTJSYGBAJZADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O8/c1-31-15-5-7-19(23(9-15)33-3)27-13-35-25(29)17-12-22-18(11-21(17)27)26(30)36-14-28(22)20-8-6-16(32-2)10-24(20)34-4/h5-12H,13-14H2,1-4H3.
What are the key properties of 1,6-bis(2,4-dimethoxyphenyl)-2,7-dihydro-[1,3]oxazino[4,5-g][3,1]benzoxazine-4,9-dione?
1,6-bis(2,4-dimethoxyphenyl)-2,7-dihydro-[1,3]oxazino[4,5-g][3,1]benzoxazine-4,9-dione has a molecular weight of 492.48 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(2,4-dimethoxyphenyl)-2,7-dihydro-[1,3]oxazino[4,5-g][3,1]benzoxazine-4,9-dione is sourced from PubChem (CID 21058600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).