6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-3,1-benzoxazine-2,4-dione

C18H17NO6 — CID 23154002

IUPAC6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-3,1-benzoxazine-2,4-dione
SMILESCOc1ccc(Cn2c(=O)oc(=O)c3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C18H17NO6/c1-22-12-6-4-11(5-7-12)10-19-14-9-16(24-3)15(23-2)8-13(14)17(20)25-18(19)21/h4-9H,10H2,1-3H3
InChIKeyLVFNUIYLEJWISO-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.03
Rot. Bonds5

About 6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-3,1-benzoxazine-2,4-dione

6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-3,1-benzoxazine-2,4-dione (PubChem CID 23154002) has the molecular formula C18H17NO6 and a molecular weight of 343.34 g/mol. Its IUPAC name is 6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-3,1-benzoxazine-2,4-dione
PubChem CID23154002
Molecular FormulaC18H17NO6
Molecular Weight343.34 g/mol
Exact Mass343.11
IUPAC Name6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-3,1-benzoxazine-2,4-dione
SMILESCOc1ccc(Cn2c(=O)oc(=O)c3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C18H17NO6/c1-22-12-6-4-11(5-7-12)10-19-14-9-16(24-3)15(23-2)8-13(14)17(20)25-18(19)21/h4-9H,10H2,1-3H3
InChIKeyLVFNUIYLEJWISO-UHFFFAOYSA-N
XLogP2.03
TPSA79.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione
CID 59699622
6-bromo-1-[(4-methoxyphenyl)methyl]thieno[2,3-d][1,3]oxazine-2,4-dione
CID 170859924
butan-2-one;6,7-dimethyl-1-[(4-methylphenyl)methyl]-3,1-benzoxazine-2,4-dione;ethane
CID 91360319
1-benzyl-3,1-benzoxazine-2,4-dione
CID 520756
1-[(4-chlorophenyl)methyl]-3,1-benzoxazine-2,4-dione
CID 771877
5,12-bis[(4-methoxyphenyl)methyl]-1,4,8,11-tetramethylquinolino[2,3-b]acridine-7,14-dione
CID 58586577
3-benzyl-6-methoxy-1,3-benzoxazine-2,4-dione
CID 131857932
3-[(3,4-dichlorophenyl)methyl]-4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-one
CID 4919758
ethyl 2-[2-[(4-methoxyphenyl)methyl]-4,6-dioxopyrazolo[3,4-d][1,3]oxazin-7-yl]acetate
CID 58891591
6-chloro-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 57423840
3-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
CID 107104033
3-[5,6-dimethoxy-3-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)indol-2-yl]prop-2-enoic acid
CID 70077049

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-3,1-benzoxazine-2,4-dione?
The IUPAC name of 6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-3,1-benzoxazine-2,4-dione (CID 23154002) is 6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-3,1-benzoxazine-2,4-dione is COc1ccc(Cn2c(=O)oc(=O)c3cc(OC)c(OC)cc32)cc1.
What is the InChIKey of 6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-3,1-benzoxazine-2,4-dione?
The InChIKey is LVFNUIYLEJWISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO6/c1-22-12-6-4-11(5-7-12)10-19-14-9-16(24-3)15(23-2)8-13(14)17(20)25-18(19)21/h4-9H,10H2,1-3H3.
What are the key properties of 6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-3,1-benzoxazine-2,4-dione?
6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-3,1-benzoxazine-2,4-dione has a molecular weight of 343.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 23154002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).