10-(2-methoxyphenyl)-2,7-dimethylfuro[3,2-c][1,2,5]benzotriazepine

C19H17N3O2 — CID 59572776

IUPAC10-(2-methoxyphenyl)-2,7-dimethylfuro[3,2-c][1,2,5]benzotriazepine
SMILESCOc1ccccc1N1c2ccc(C)cc2N=Nc2cc(C)oc21
InChIInChI=1S/C19H17N3O2/c1-12-8-9-16-14(10-12)20-21-15-11-13(2)24-19(15)22(16)17-6-4-5-7-18(17)23-3/h4-11H,1-3H3
InChIKeyYZTHENKUMSMRJN-UHFFFAOYSA-N
MW319.36 g/mol
LogP6.10
Rot. Bonds2

About 10-(2-methoxyphenyl)-2,7-dimethylfuro[3,2-c][1,2,5]benzotriazepine

10-(2-methoxyphenyl)-2,7-dimethylfuro[3,2-c][1,2,5]benzotriazepine (PubChem CID 59572776) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 10-(2-methoxyphenyl)-2,7-dimethylfuro[3,2-c][1,2,5]benzotriazepine.

Molecular Properties

Compound Name10-(2-methoxyphenyl)-2,7-dimethylfuro[3,2-c][1,2,5]benzotriazepine
PubChem CID59572776
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name10-(2-methoxyphenyl)-2,7-dimethylfuro[3,2-c][1,2,5]benzotriazepine
SMILESCOc1ccccc1N1c2ccc(C)cc2N=Nc2cc(C)oc21
InChIInChI=1S/C19H17N3O2/c1-12-8-9-16-14(10-12)20-21-15-11-13(2)24-19(15)22(16)17-6-4-5-7-18(17)23-3/h4-11H,1-3H3
InChIKeyYZTHENKUMSMRJN-UHFFFAOYSA-N
XLogP6.10
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.36
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-(2-methoxyphenyl)-2,7-dimethylfuro[3,2-c][1,2,5]benzotriazepine?
The IUPAC name of 10-(2-methoxyphenyl)-2,7-dimethylfuro[3,2-c][1,2,5]benzotriazepine (CID 59572776) is 10-(2-methoxyphenyl)-2,7-dimethylfuro[3,2-c][1,2,5]benzotriazepine.
What is the SMILES notation for 10-(2-methoxyphenyl)-2,7-dimethylfuro[3,2-c][1,2,5]benzotriazepine?
The canonical SMILES for 10-(2-methoxyphenyl)-2,7-dimethylfuro[3,2-c][1,2,5]benzotriazepine is COc1ccccc1N1c2ccc(C)cc2N=Nc2cc(C)oc21.
What is the InChIKey of 10-(2-methoxyphenyl)-2,7-dimethylfuro[3,2-c][1,2,5]benzotriazepine?
The InChIKey is YZTHENKUMSMRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-12-8-9-16-14(10-12)20-21-15-11-13(2)24-19(15)22(16)17-6-4-5-7-18(17)23-3/h4-11H,1-3H3.
What are the key properties of 10-(2-methoxyphenyl)-2,7-dimethylfuro[3,2-c][1,2,5]benzotriazepine?
10-(2-methoxyphenyl)-2,7-dimethylfuro[3,2-c][1,2,5]benzotriazepine has a molecular weight of 319.36 g/mol, XLogP of 6.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methoxyphenyl)-2,7-dimethylfuro[3,2-c][1,2,5]benzotriazepine is sourced from PubChem (CID 59572776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).