2-([1]benzofuro[2,3-b][1]benzazepin-6-yl)-3-methoxy-5-methylbenzoyl azide

C25H18N4O3 — CID 143411169

IUPAC2-([1]benzofuro[2,3-b][1]benzazepin-6-yl)-3-methoxy-5-methylbenzoyl azide
SMILESCOc1cc(C)cc(C(=O)N=[N+]=[N-])c1N1c2ccccc2C=Cc2c1oc1ccccc21
InChIInChI=1S/C25H18N4O3/c1-15-13-19(24(30)27-28-26)23(22(14-15)31-2)29-20-9-5-3-7-16(20)11-12-18-17-8-4-6-10-21(17)32-25(18)29/h3-14H,1-2H3
InChIKeyWGVXFZDWPRTFOY-UHFFFAOYSA-N
MW422.44 g/mol
LogP7.15
Rot. Bonds3

About 2-([1]benzofuro[2,3-b][1]benzazepin-6-yl)-3-methoxy-5-methylbenzoyl azide

2-([1]benzofuro[2,3-b][1]benzazepin-6-yl)-3-methoxy-5-methylbenzoyl azide (PubChem CID 143411169) has the molecular formula C25H18N4O3 and a molecular weight of 422.44 g/mol. Its IUPAC name is 2-([1]benzofuro[2,3-b][1]benzazepin-6-yl)-3-methoxy-5-methylbenzoyl azide.

Molecular Properties

Compound Name2-([1]benzofuro[2,3-b][1]benzazepin-6-yl)-3-methoxy-5-methylbenzoyl azide
PubChem CID143411169
Molecular FormulaC25H18N4O3
Molecular Weight422.44 g/mol
Exact Mass422.14
IUPAC Name2-([1]benzofuro[2,3-b][1]benzazepin-6-yl)-3-methoxy-5-methylbenzoyl azide
SMILESCOc1cc(C)cc(C(=O)N=[N+]=[N-])c1N1c2ccccc2C=Cc2c1oc1ccccc21
InChIInChI=1S/C25H18N4O3/c1-15-13-19(24(30)27-28-26)23(22(14-15)31-2)29-20-9-5-3-7-16(20)11-12-18-17-8-4-6-10-21(17)32-25(18)29/h3-14H,1-2H3
InChIKeyWGVXFZDWPRTFOY-UHFFFAOYSA-N
XLogP7.15
TPSA91.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.44
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-5-methyl-2-[(13Z,15Z)-2-oxo-11-oxa-2λ4-thia-9-azatricyclo[8.7.0.03,8]heptadeca-1(10),3,5,7,13,15-hexaen-9-yl]benzoyl azide
CID 143411250
5-(2,6-dimethoxy-4-methylphenyl)-[1]benzofuro[2,3-b][4,1]benzoxazepin-12-one
CID 59573157
4-(3-carbonazidoyl-2-methoxynaphthalen-1-yl)-3-methoxynaphthalene-2-carbonyl azide
CID 16742235
6-(2-methoxy-4-methylphenyl)-11H-[1]benzofuro[2,3-b]quinoline
CID 59572702
9-(2,6-dimethoxy-4-methylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide
CID 59572347
(2-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone
CID 14018362
(3R,4S)-4-azido-3,4-dihydrodibenzofuran-3-ol
CID 151477234
N-[2-(5-methoxy-7-methyl-2-oxochromen-4-yl)-1-benzofuran-3-yl]-2-methylpropanamide
CID 155137912
2-(2-methoxyphenyl)-6-methyl-1-benzofuran-4-carboxylic acid
CID 175186064
(2-methoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 28880611
2-methyldibenzofuran-4-carboxylic acid
CID 167268287
5-(2,4,6-trimethylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine
CID 59573379

Frequently Asked Questions

What is the IUPAC name of 2-([1]benzofuro[2,3-b][1]benzazepin-6-yl)-3-methoxy-5-methylbenzoyl azide?
The IUPAC name of 2-([1]benzofuro[2,3-b][1]benzazepin-6-yl)-3-methoxy-5-methylbenzoyl azide (CID 143411169) is 2-([1]benzofuro[2,3-b][1]benzazepin-6-yl)-3-methoxy-5-methylbenzoyl azide.
What is the SMILES notation for 2-([1]benzofuro[2,3-b][1]benzazepin-6-yl)-3-methoxy-5-methylbenzoyl azide?
The canonical SMILES for 2-([1]benzofuro[2,3-b][1]benzazepin-6-yl)-3-methoxy-5-methylbenzoyl azide is COc1cc(C)cc(C(=O)N=[N+]=[N-])c1N1c2ccccc2C=Cc2c1oc1ccccc21.
What is the InChIKey of 2-([1]benzofuro[2,3-b][1]benzazepin-6-yl)-3-methoxy-5-methylbenzoyl azide?
The InChIKey is WGVXFZDWPRTFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O3/c1-15-13-19(24(30)27-28-26)23(22(14-15)31-2)29-20-9-5-3-7-16(20)11-12-18-17-8-4-6-10-21(17)32-25(18)29/h3-14H,1-2H3.
What are the key properties of 2-([1]benzofuro[2,3-b][1]benzazepin-6-yl)-3-methoxy-5-methylbenzoyl azide?
2-([1]benzofuro[2,3-b][1]benzazepin-6-yl)-3-methoxy-5-methylbenzoyl azide has a molecular weight of 422.44 g/mol, XLogP of 7.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1]benzofuro[2,3-b][1]benzazepin-6-yl)-3-methoxy-5-methylbenzoyl azide is sourced from PubChem (CID 143411169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).