9-cyclopropyl-3-(4-methoxyphenoxy)-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one

C22H21NO5 — CID 25282434

IUPAC9-cyclopropyl-3-(4-methoxyphenoxy)-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one
SMILESCOc1ccc(Oc2c(C)oc3c4c(ccc3c2=O)OCN(C2CC2)C4)cc1
InChIInChI=1S/C22H21NO5/c1-13-21(28-16-7-5-15(25-2)6-8-16)20(24)17-9-10-19-18(22(17)27-13)11-23(12-26-19)14-3-4-14/h5-10,14H,3-4,11-12H2,1-2H3
InChIKeyPDFWZXJAGAHYIJ-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.22
Rot. Bonds4

About 9-cyclopropyl-3-(4-methoxyphenoxy)-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one

9-cyclopropyl-3-(4-methoxyphenoxy)-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one (PubChem CID 25282434) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is 9-cyclopropyl-3-(4-methoxyphenoxy)-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one.

Molecular Properties

Compound Name9-cyclopropyl-3-(4-methoxyphenoxy)-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one
PubChem CID25282434
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Name9-cyclopropyl-3-(4-methoxyphenoxy)-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one
SMILESCOc1ccc(Oc2c(C)oc3c4c(ccc3c2=O)OCN(C2CC2)C4)cc1
InChIInChI=1S/C22H21NO5/c1-13-21(28-16-7-5-15(25-2)6-8-16)20(24)17-9-10-19-18(22(17)27-13)11-23(12-26-19)14-3-4-14/h5-10,14H,3-4,11-12H2,1-2H3
InChIKeyPDFWZXJAGAHYIJ-UHFFFAOYSA-N
XLogP4.22
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-3-(4-methoxyphenoxy)-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one?
The IUPAC name of 9-cyclopropyl-3-(4-methoxyphenoxy)-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one (CID 25282434) is 9-cyclopropyl-3-(4-methoxyphenoxy)-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one.
What is the SMILES notation for 9-cyclopropyl-3-(4-methoxyphenoxy)-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one?
The canonical SMILES for 9-cyclopropyl-3-(4-methoxyphenoxy)-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one is COc1ccc(Oc2c(C)oc3c4c(ccc3c2=O)OCN(C2CC2)C4)cc1.
What is the InChIKey of 9-cyclopropyl-3-(4-methoxyphenoxy)-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one?
The InChIKey is PDFWZXJAGAHYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5/c1-13-21(28-16-7-5-15(25-2)6-8-16)20(24)17-9-10-19-18(22(17)27-13)11-23(12-26-19)14-3-4-14/h5-10,14H,3-4,11-12H2,1-2H3.
What are the key properties of 9-cyclopropyl-3-(4-methoxyphenoxy)-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one?
9-cyclopropyl-3-(4-methoxyphenoxy)-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one has a molecular weight of 379.41 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-3-(4-methoxyphenoxy)-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one is sourced from PubChem (CID 25282434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).