4-methoxy-7-methyl-2,3-diphenyl-2,3-dihydropyrano[3,2-h][1,4]benzoxazin-9-one

C25H21NO4 — CID 10620941

IUPAC4-methoxy-7-methyl-2,3-diphenyl-2,3-dihydropyrano[3,2-h][1,4]benzoxazin-9-one
SMILESCON1c2ccc3c(C)cc(=O)oc3c2OC(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C25H21NO4/c1-16-15-21(27)29-24-19(16)13-14-20-25(24)30-23(18-11-7-4-8-12-18)22(26(20)28-2)17-9-5-3-6-10-17/h3-15,22-23H,1-2H3
InChIKeyNEYQVSULZYBUBY-UHFFFAOYSA-N
MW399.45 g/mol
LogP5.34
Rot. Bonds3

About 4-methoxy-7-methyl-2,3-diphenyl-2,3-dihydropyrano[3,2-h][1,4]benzoxazin-9-one

4-methoxy-7-methyl-2,3-diphenyl-2,3-dihydropyrano[3,2-h][1,4]benzoxazin-9-one (PubChem CID 10620941) has the molecular formula C25H21NO4 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-methoxy-7-methyl-2,3-diphenyl-2,3-dihydropyrano[3,2-h][1,4]benzoxazin-9-one.

Molecular Properties

Compound Name4-methoxy-7-methyl-2,3-diphenyl-2,3-dihydropyrano[3,2-h][1,4]benzoxazin-9-one
PubChem CID10620941
Molecular FormulaC25H21NO4
Molecular Weight399.45 g/mol
Exact Mass399.15
IUPAC Name4-methoxy-7-methyl-2,3-diphenyl-2,3-dihydropyrano[3,2-h][1,4]benzoxazin-9-one
SMILESCON1c2ccc3c(C)cc(=O)oc3c2OC(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C25H21NO4/c1-16-15-21(27)29-24-19(16)13-14-20-25(24)30-23(18-11-7-4-8-12-18)22(26(20)28-2)17-9-5-3-6-10-17/h3-15,22-23H,1-2H3
InChIKeyNEYQVSULZYBUBY-UHFFFAOYSA-N
XLogP5.34
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 100988378
7-hydroxy-4-methyl-8-[(3-phenylpyrrolidin-1-yl)methyl]chromen-2-one
CID 71754577
4,10-dimethylpyrano[2,3-f]chromene-2,8-dione
CID 1234115
4-methylpyrano[2,3-f]chromene-2,8-dione
CID 13165001
8-iodo-4-methylchromen-2-one
CID 130067017
4-methylpyrano[2,3-a]xanthene-2,12-dione
CID 13270680
methyl 2-methyl-5-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]furan-3-carboxylate
CID 139038429
(8R)-4-methyl-8-[(E)-2-phenylethenyl]-8,9-dihydrofuro[2,3-h]chromen-2-one
CID 11044919
(4-methyl-2-oxo-7-phosphonooxychromen-8-yl) dihydrogen phosphate
CID 56839869
(4,8-dimethyl-2-oxochromen-7-yl) dihydrogen phosphate
CID 56839646

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-methyl-2,3-diphenyl-2,3-dihydropyrano[3,2-h][1,4]benzoxazin-9-one?
The IUPAC name of 4-methoxy-7-methyl-2,3-diphenyl-2,3-dihydropyrano[3,2-h][1,4]benzoxazin-9-one (CID 10620941) is 4-methoxy-7-methyl-2,3-diphenyl-2,3-dihydropyrano[3,2-h][1,4]benzoxazin-9-one.
What is the SMILES notation for 4-methoxy-7-methyl-2,3-diphenyl-2,3-dihydropyrano[3,2-h][1,4]benzoxazin-9-one?
The canonical SMILES for 4-methoxy-7-methyl-2,3-diphenyl-2,3-dihydropyrano[3,2-h][1,4]benzoxazin-9-one is CON1c2ccc3c(C)cc(=O)oc3c2OC(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 4-methoxy-7-methyl-2,3-diphenyl-2,3-dihydropyrano[3,2-h][1,4]benzoxazin-9-one?
The InChIKey is NEYQVSULZYBUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO4/c1-16-15-21(27)29-24-19(16)13-14-20-25(24)30-23(18-11-7-4-8-12-18)22(26(20)28-2)17-9-5-3-6-10-17/h3-15,22-23H,1-2H3.
What are the key properties of 4-methoxy-7-methyl-2,3-diphenyl-2,3-dihydropyrano[3,2-h][1,4]benzoxazin-9-one?
4-methoxy-7-methyl-2,3-diphenyl-2,3-dihydropyrano[3,2-h][1,4]benzoxazin-9-one has a molecular weight of 399.45 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-methyl-2,3-diphenyl-2,3-dihydropyrano[3,2-h][1,4]benzoxazin-9-one is sourced from PubChem (CID 10620941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).