[3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]-phenyldiazene

C21H19N3O2 — CID 3842295

IUPAC[3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]-phenyldiazene
SMILESCOc1ccccc1N1COc2ccc(/N=N/c3ccccc3)cc2C1
InChIInChI=1S/C21H19N3O2/c1-25-21-10-6-5-9-19(21)24-14-16-13-18(11-12-20(16)26-15-24)23-22-17-7-3-2-4-8-17/h2-13H,14-15H2,1H3/b23-22+
InChIKeyCKBAJXICUIYUHW-GHVJWSGMSA-N
MW345.40 g/mol
LogP5.47
Rot. Bonds4

About [3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]-phenyldiazene

[3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]-phenyldiazene (PubChem CID 3842295) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is [3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]-phenyldiazene.

Molecular Properties

Compound Name[3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]-phenyldiazene
PubChem CID3842295
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name[3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]-phenyldiazene
SMILESCOc1ccccc1N1COc2ccc(/N=N/c3ccccc3)cc2C1
InChIInChI=1S/C21H19N3O2/c1-25-21-10-6-5-9-19(21)24-14-16-13-18(11-12-20(16)26-15-24)23-22-17-7-3-2-4-8-17/h2-13H,14-15H2,1H3/b23-22+
InChIKeyCKBAJXICUIYUHW-GHVJWSGMSA-N
XLogP5.47
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.40
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'mannich_B(1)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine
CID 712131
4-(2-methoxyphenyl)morpholine-2,6-dione
CID 63779029
7-chloro-4-(2-methoxyphenyl)-5H-1,4-benzoxazepin-3-one
CID 53152730
6-(2,4-dihydro-1,3-benzoxazin-3-yl)-3-[3-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-2,4-dihydro-1,3-benzoxazin-6-yl]-2,4-dihydro-1,3-benzoxazine
CID 132528503
16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 86134682
1-ethynyl-4-(2-methoxyphenyl)piperazine
CID 67760707
1-(2-methoxyphenyl)-4-nitrosopiperazine
CID 154814146
1-(2-methoxyphenyl)-N,N-dimethylazetidin-3-amine
CID 175916234
9-(2,4-dimethoxyphenyl)-4-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
CID 22426269
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(2-methoxyphenyl)piperazine
CID 3068805
1-[(3-ethynylazulen-1-yl)methyl]-4-(2-methoxyphenyl)piperazine
CID 71461481
6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine
CID 143809181

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]-phenyldiazene?
The IUPAC name of [3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]-phenyldiazene (CID 3842295) is [3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]-phenyldiazene.
What is the SMILES notation for [3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]-phenyldiazene?
The canonical SMILES for [3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]-phenyldiazene is COc1ccccc1N1COc2ccc(/N=N/c3ccccc3)cc2C1.
What is the InChIKey of [3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]-phenyldiazene?
The InChIKey is CKBAJXICUIYUHW-GHVJWSGMSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-25-21-10-6-5-9-19(21)24-14-16-13-18(11-12-20(16)26-15-24)23-22-17-7-3-2-4-8-17/h2-13H,14-15H2,1H3/b23-22+.
What are the key properties of [3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]-phenyldiazene?
[3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]-phenyldiazene has a molecular weight of 345.40 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]-phenyldiazene is sourced from PubChem (CID 3842295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).