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

C20H19NO3 — CID 3841038

IUPAC4-methyl-9-(1-phenylethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
SMILESCc1cc(=O)oc2c3c(ccc12)OCN(C(C)c1ccccc1)C3
InChIInChI=1S/C20H19NO3/c1-13-10-19(22)24-20-16(13)8-9-18-17(20)11-21(12-23-18)14(2)15-6-4-3-5-7-15/h3-10,14H,11-12H2,1-2H3
InChIKeyRVCNAEPNLZBBQS-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.01
Rot. Bonds2

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

4-methyl-9-(1-phenylethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one (PubChem CID 3841038) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-methyl-9-(1-phenylethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one.

Molecular Properties

Compound Name4-methyl-9-(1-phenylethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
PubChem CID3841038
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name4-methyl-9-(1-phenylethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
SMILESCc1cc(=O)oc2c3c(ccc12)OCN(C(C)c1ccccc1)C3
InChIInChI=1S/C20H19NO3/c1-13-10-19(22)24-20-16(13)8-9-18-17(20)11-21(12-23-18)14(2)15-6-4-3-5-7-15/h3-10,14H,11-12H2,1-2H3
InChIKeyRVCNAEPNLZBBQS-UHFFFAOYSA-N
XLogP4.01
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxyphenoxy)-9-(1-phenylethyl)-2-(trifluoromethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one
CID 75784340
4-methyl-9-(5-methyl-1,2-oxazol-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
CID 4970332
3-propan-2-yl-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one
CID 7660228
3-benzyl-6-chloro-4-methyl-9-(1-phenylethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
CID 3611775
4-(4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)benzenesulfonamide
CID 4895473
3,4-dimethyl-9-(2-phenylpropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
CID 4271772
propan-2-yl (2R)-2-(2-oxo-4-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)-3-phenylpropanoate
CID 2295121
propan-2-yl 2-(2-oxo-4-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)-3-phenylpropanoate
CID 2921074
9-[2-(4-chlorophenyl)ethyl]-4-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
CID 2044222
9-benzyl-4-(4-methylphenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
CID 20915639
4-methyl-9-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
CID 7645092
(2Z)-4-methyl-8-(1-phenylethyl)-2-(pyridin-2-ylmethylidene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
CID 110276265

Frequently Asked Questions

What is the IUPAC name of 4-methyl-9-(1-phenylethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one?
The IUPAC name of 4-methyl-9-(1-phenylethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one (CID 3841038) is 4-methyl-9-(1-phenylethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one.
What is the SMILES notation for 4-methyl-9-(1-phenylethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one?
The canonical SMILES for 4-methyl-9-(1-phenylethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one is Cc1cc(=O)oc2c3c(ccc12)OCN(C(C)c1ccccc1)C3.
What is the InChIKey of 4-methyl-9-(1-phenylethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one?
The InChIKey is RVCNAEPNLZBBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-13-10-19(22)24-20-16(13)8-9-18-17(20)11-21(12-23-18)14(2)15-6-4-3-5-7-15/h3-10,14H,11-12H2,1-2H3.
What are the key properties of 4-methyl-9-(1-phenylethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one?
4-methyl-9-(1-phenylethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one has a molecular weight of 321.38 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-9-(1-phenylethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one is sourced from PubChem (CID 3841038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).