10-(3,4-dihydro-2H-chromen-8-yl)-2-methylfuro[3,2-c][1,2,5]benzotriazepine

C20H17N3O2 — CID 59572397

IUPAC10-(3,4-dihydro-2H-chromen-8-yl)-2-methylfuro[3,2-c][1,2,5]benzotriazepine
SMILESCc1cc2c(o1)N(c1cccc3c1OCCC3)c1ccccc1N=N2
InChIInChI=1S/C20H17N3O2/c1-13-12-16-20(25-13)23(17-9-3-2-8-15(17)21-22-16)18-10-4-6-14-7-5-11-24-19(14)18/h2-4,6,8-10,12H,5,7,11H2,1H3
InChIKeyJGSYMNFFEXJZOL-UHFFFAOYSA-N
MW331.38 g/mol
LogP6.11
Rot. Bonds1

About 10-(3,4-dihydro-2H-chromen-8-yl)-2-methylfuro[3,2-c][1,2,5]benzotriazepine

10-(3,4-dihydro-2H-chromen-8-yl)-2-methylfuro[3,2-c][1,2,5]benzotriazepine (PubChem CID 59572397) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 10-(3,4-dihydro-2H-chromen-8-yl)-2-methylfuro[3,2-c][1,2,5]benzotriazepine.

Molecular Properties

Compound Name10-(3,4-dihydro-2H-chromen-8-yl)-2-methylfuro[3,2-c][1,2,5]benzotriazepine
PubChem CID59572397
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name10-(3,4-dihydro-2H-chromen-8-yl)-2-methylfuro[3,2-c][1,2,5]benzotriazepine
SMILESCc1cc2c(o1)N(c1cccc3c1OCCC3)c1ccccc1N=N2
InChIInChI=1S/C20H17N3O2/c1-13-12-16-20(25-13)23(17-9-3-2-8-15(17)21-22-16)18-10-4-6-14-7-5-11-24-19(14)18/h2-4,6,8-10,12H,5,7,11H2,1H3
InChIKeyJGSYMNFFEXJZOL-UHFFFAOYSA-N
XLogP6.11
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.38
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-(3,4-dihydro-2H-chromen-8-yl)-2-methylfuro[3,2-c][1,2,5]benzotriazepine?
The IUPAC name of 10-(3,4-dihydro-2H-chromen-8-yl)-2-methylfuro[3,2-c][1,2,5]benzotriazepine (CID 59572397) is 10-(3,4-dihydro-2H-chromen-8-yl)-2-methylfuro[3,2-c][1,2,5]benzotriazepine.
What is the SMILES notation for 10-(3,4-dihydro-2H-chromen-8-yl)-2-methylfuro[3,2-c][1,2,5]benzotriazepine?
The canonical SMILES for 10-(3,4-dihydro-2H-chromen-8-yl)-2-methylfuro[3,2-c][1,2,5]benzotriazepine is Cc1cc2c(o1)N(c1cccc3c1OCCC3)c1ccccc1N=N2.
What is the InChIKey of 10-(3,4-dihydro-2H-chromen-8-yl)-2-methylfuro[3,2-c][1,2,5]benzotriazepine?
The InChIKey is JGSYMNFFEXJZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-13-12-16-20(25-13)23(17-9-3-2-8-15(17)21-22-16)18-10-4-6-14-7-5-11-24-19(14)18/h2-4,6,8-10,12H,5,7,11H2,1H3.
What are the key properties of 10-(3,4-dihydro-2H-chromen-8-yl)-2-methylfuro[3,2-c][1,2,5]benzotriazepine?
10-(3,4-dihydro-2H-chromen-8-yl)-2-methylfuro[3,2-c][1,2,5]benzotriazepine has a molecular weight of 331.38 g/mol, XLogP of 6.11, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,4-dihydro-2H-chromen-8-yl)-2-methylfuro[3,2-c][1,2,5]benzotriazepine is sourced from PubChem (CID 59572397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).