2,7-dimethyl-10-(2-methylphenyl)furo[3,2-c][1,2,5]benzotriazepine

C19H17N3O — CID 59572978

IUPAC2,7-dimethyl-10-(2-methylphenyl)furo[3,2-c][1,2,5]benzotriazepine
SMILESCc1ccc2c(c1)N=Nc1cc(C)oc1N2c1ccccc1C
InChIInChI=1S/C19H17N3O/c1-12-8-9-18-15(10-12)20-21-16-11-14(3)23-19(16)22(18)17-7-5-4-6-13(17)2/h4-11H,1-3H3
InChIKeyBEORQRJTQSNGKP-UHFFFAOYSA-N
MW303.37 g/mol
LogP6.40
Rot. Bonds1

About 2,7-dimethyl-10-(2-methylphenyl)furo[3,2-c][1,2,5]benzotriazepine

2,7-dimethyl-10-(2-methylphenyl)furo[3,2-c][1,2,5]benzotriazepine (PubChem CID 59572978) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2,7-dimethyl-10-(2-methylphenyl)furo[3,2-c][1,2,5]benzotriazepine.

Molecular Properties

Compound Name2,7-dimethyl-10-(2-methylphenyl)furo[3,2-c][1,2,5]benzotriazepine
PubChem CID59572978
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name2,7-dimethyl-10-(2-methylphenyl)furo[3,2-c][1,2,5]benzotriazepine
SMILESCc1ccc2c(c1)N=Nc1cc(C)oc1N2c1ccccc1C
InChIInChI=1S/C19H17N3O/c1-12-8-9-18-15(10-12)20-21-16-11-14(3)23-19(16)22(18)17-7-5-4-6-13(17)2/h4-11H,1-3H3
InChIKeyBEORQRJTQSNGKP-UHFFFAOYSA-N
XLogP6.40
TPSA41.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.37
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N,N-bis(4-methylphenyl)furan-2-amine
CID 57589331
10-(4-Methyl-2-phenylphenyl)furo[3,2-c][1,2,5]benzotriazepine
CID 59572236
6-(2-Methoxyphenyl)-2,9-dimethyl-[1]benzofuro[3,2-c][1,2,5]benzotriazepine
CID 59572250
10-(2-Methoxyphenyl)-2,7-dimethylfuro[2,3-b][1]benzazepine
CID 59572308
2-Methyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-c][1,2,5]benzotriazepine
CID 59572332
2,9-Dimethyl-6-(2-methylphenyl)-[1]benzofuro[3,2-c][1,2,5]benzotriazepine
CID 59572374
2-Methyl-6-(2,4,6-trimethylphenyl)-[1]benzofuro[3,2-c][1,2,5]benzotriazepine
CID 59572394
10-(3,4-dihydro-2H-chromen-8-yl)-2-methylfuro[3,2-c][1,2,5]benzotriazepine
CID 59572397
2-Methyl-10-(2-phenylphenyl)furo[3,2-c][1,2,5]benzotriazepine
CID 59572530
10-(2,4,6-Trimethylphenyl)furo[3,2-c][1,2,5]benzotriazepine
CID 59572700
10-(2-Methoxyphenyl)-2,7-dimethylfuro[3,2-c][1,2,5]benzotriazepine
CID 59572776
6-(2-Methoxy-4-methylphenyl)-[1]benzofuro[3,2-c][1,2,5]benzotriazepine
CID 59572788

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-10-(2-methylphenyl)furo[3,2-c][1,2,5]benzotriazepine?
The IUPAC name of 2,7-dimethyl-10-(2-methylphenyl)furo[3,2-c][1,2,5]benzotriazepine (CID 59572978) is 2,7-dimethyl-10-(2-methylphenyl)furo[3,2-c][1,2,5]benzotriazepine.
What is the SMILES notation for 2,7-dimethyl-10-(2-methylphenyl)furo[3,2-c][1,2,5]benzotriazepine?
The canonical SMILES for 2,7-dimethyl-10-(2-methylphenyl)furo[3,2-c][1,2,5]benzotriazepine is Cc1ccc2c(c1)N=Nc1cc(C)oc1N2c1ccccc1C.
What is the InChIKey of 2,7-dimethyl-10-(2-methylphenyl)furo[3,2-c][1,2,5]benzotriazepine?
The InChIKey is BEORQRJTQSNGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-12-8-9-18-15(10-12)20-21-16-11-14(3)23-19(16)22(18)17-7-5-4-6-13(17)2/h4-11H,1-3H3.
What are the key properties of 2,7-dimethyl-10-(2-methylphenyl)furo[3,2-c][1,2,5]benzotriazepine?
2,7-dimethyl-10-(2-methylphenyl)furo[3,2-c][1,2,5]benzotriazepine has a molecular weight of 303.37 g/mol, XLogP of 6.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-10-(2-methylphenyl)furo[3,2-c][1,2,5]benzotriazepine is sourced from PubChem (CID 59572978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).