5,7-dimethoxy-3-(4-methoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine

C18H21NO4 — CID 10470962

IUPAC5,7-dimethoxy-3-(4-methoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCOc1ccc(C2COc3cc(OC)cc(OC)c3N2C)cc1
InChIInChI=1S/C18H21NO4/c1-19-15(12-5-7-13(20-2)8-6-12)11-23-17-10-14(21-3)9-16(22-4)18(17)19/h5-10,15H,11H2,1-4H3
InChIKeyVQIKZTRFLINCTN-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.28
Rot. Bonds4

About 5,7-dimethoxy-3-(4-methoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine

5,7-dimethoxy-3-(4-methoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 10470962) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 5,7-dimethoxy-3-(4-methoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name5,7-dimethoxy-3-(4-methoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine
PubChem CID10470962
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name5,7-dimethoxy-3-(4-methoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCOc1ccc(C2COc3cc(OC)cc(OC)c3N2C)cc1
InChIInChI=1S/C18H21NO4/c1-19-15(12-5-7-13(20-2)8-6-12)11-23-17-10-14(21-3)9-16(22-4)18(17)19/h5-10,15H,11H2,1-4H3
InChIKeyVQIKZTRFLINCTN-UHFFFAOYSA-N
XLogP3.28
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-3-(4-methoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 5,7-dimethoxy-3-(4-methoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine (CID 10470962) is 5,7-dimethoxy-3-(4-methoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 5,7-dimethoxy-3-(4-methoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 5,7-dimethoxy-3-(4-methoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine is COc1ccc(C2COc3cc(OC)cc(OC)c3N2C)cc1.
What is the InChIKey of 5,7-dimethoxy-3-(4-methoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is VQIKZTRFLINCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-19-15(12-5-7-13(20-2)8-6-12)11-23-17-10-14(21-3)9-16(22-4)18(17)19/h5-10,15H,11H2,1-4H3.
What are the key properties of 5,7-dimethoxy-3-(4-methoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine?
5,7-dimethoxy-3-(4-methoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 315.37 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-3-(4-methoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 10470962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).