3-(4-methoxyphenyl)-2-methyl-9-propan-2-yl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one

C22H23NO4 — CID 42534525

IUPAC3-(4-methoxyphenyl)-2-methyl-9-propan-2-yl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one
SMILESCOc1ccc(-c2c(C)oc3c4c(ccc3c2=O)OCN(C(C)C)C4)cc1
InChIInChI=1S/C22H23NO4/c1-13(2)23-11-18-19(26-12-23)10-9-17-21(24)20(14(3)27-22(17)18)15-5-7-16(25-4)8-6-15/h5-10,13H,11-12H2,1-4H3
InChIKeyLPPUFCNUTQHYPH-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.34
Rot. Bonds3

About 3-(4-methoxyphenyl)-2-methyl-9-propan-2-yl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one

3-(4-methoxyphenyl)-2-methyl-9-propan-2-yl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one (PubChem CID 42534525) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-methyl-9-propan-2-yl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-methyl-9-propan-2-yl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one
PubChem CID42534525
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name3-(4-methoxyphenyl)-2-methyl-9-propan-2-yl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one
SMILESCOc1ccc(-c2c(C)oc3c4c(ccc3c2=O)OCN(C(C)C)C4)cc1
InChIInChI=1S/C22H23NO4/c1-13(2)23-11-18-19(26-12-23)10-9-17-21(24)20(14(3)27-22(17)18)15-5-7-16(25-4)8-6-15/h5-10,13H,11-12H2,1-4H3
InChIKeyLPPUFCNUTQHYPH-UHFFFAOYSA-N
XLogP4.34
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-methyl-9-propan-2-yl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-2-methyl-9-propan-2-yl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one (CID 42534525) is 3-(4-methoxyphenyl)-2-methyl-9-propan-2-yl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-methyl-9-propan-2-yl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-2-methyl-9-propan-2-yl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one is COc1ccc(-c2c(C)oc3c4c(ccc3c2=O)OCN(C(C)C)C4)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-methyl-9-propan-2-yl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one?
The InChIKey is LPPUFCNUTQHYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-13(2)23-11-18-19(26-12-23)10-9-17-21(24)20(14(3)27-22(17)18)15-5-7-16(25-4)8-6-15/h5-10,13H,11-12H2,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)-2-methyl-9-propan-2-yl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one?
3-(4-methoxyphenyl)-2-methyl-9-propan-2-yl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one has a molecular weight of 365.43 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-methyl-9-propan-2-yl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one is sourced from PubChem (CID 42534525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).