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

C21H19NO3 — CID 25282422

IUPAC9-cyclopropyl-2-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one
SMILESCc1oc2c3c(ccc2c(=O)c1-c1ccccc1)OCN(C1CC1)C3
InChIInChI=1S/C21H19NO3/c1-13-19(14-5-3-2-4-6-14)20(23)16-9-10-18-17(21(16)25-13)11-22(12-24-18)15-7-8-15/h2-6,9-10,15H,7-8,11-12H2,1H3
InChIKeyXDLPMTOLPWVGMV-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.08
Rot. Bonds2

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

9-cyclopropyl-2-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one (PubChem CID 25282422) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 9-cyclopropyl-2-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one.

Molecular Properties

Compound Name9-cyclopropyl-2-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one
PubChem CID25282422
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name9-cyclopropyl-2-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one
SMILESCc1oc2c3c(ccc2c(=O)c1-c1ccccc1)OCN(C1CC1)C3
InChIInChI=1S/C21H19NO3/c1-13-19(14-5-3-2-4-6-14)20(23)16-9-10-18-17(21(16)25-13)11-22(12-24-18)15-7-8-15/h2-6,9-10,15H,7-8,11-12H2,1H3
InChIKeyXDLPMTOLPWVGMV-UHFFFAOYSA-N
XLogP4.08
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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3-[8-(Benzylmethylamino)octyloxy]xanthen-9-one
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Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-2-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one?
The IUPAC name of 9-cyclopropyl-2-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one (CID 25282422) is 9-cyclopropyl-2-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one.
What is the SMILES notation for 9-cyclopropyl-2-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one?
The canonical SMILES for 9-cyclopropyl-2-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one is Cc1oc2c3c(ccc2c(=O)c1-c1ccccc1)OCN(C1CC1)C3.
What is the InChIKey of 9-cyclopropyl-2-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one?
The InChIKey is XDLPMTOLPWVGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-13-19(14-5-3-2-4-6-14)20(23)16-9-10-18-17(21(16)25-13)11-22(12-24-18)15-7-8-15/h2-6,9-10,15H,7-8,11-12H2,1H3.
What are the key properties of 9-cyclopropyl-2-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one?
9-cyclopropyl-2-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one has a molecular weight of 333.39 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-2-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one is sourced from PubChem (CID 25282422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).