6-methylchromeno[2,3-b][1,5]benzodiazepin-13-one

C17H12N2O2 — CID 3054332

IUPAC6-methylchromeno[2,3-b][1,5]benzodiazepin-13-one
SMILESCN1c2ccccc2N=Cc2c1oc1ccccc1c2=O
InChIInChI=1S/C17H12N2O2/c1-19-14-8-4-3-7-13(14)18-10-12-16(20)11-6-2-5-9-15(11)21-17(12)19/h2-10H,1H3
InChIKeyZUCZKQGHEWMBNV-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.62
Rot. Bonds

About 6-methylchromeno[2,3-b][1,5]benzodiazepin-13-one

6-methylchromeno[2,3-b][1,5]benzodiazepin-13-one (PubChem CID 3054332) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 6-methylchromeno[2,3-b][1,5]benzodiazepin-13-one.

Molecular Properties

Compound Name6-methylchromeno[2,3-b][1,5]benzodiazepin-13-one
PubChem CID3054332
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name6-methylchromeno[2,3-b][1,5]benzodiazepin-13-one
SMILESCN1c2ccccc2N=Cc2c1oc1ccccc1c2=O
InChIInChI=1S/C17H12N2O2/c1-19-14-8-4-3-7-13(14)18-10-12-16(20)11-6-2-5-9-15(11)21-17(12)19/h2-10H,1H3
InChIKeyZUCZKQGHEWMBNV-UHFFFAOYSA-N
XLogP3.62
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methylchromeno[2,3-b][1,5]benzodiazepin-13-one?
The IUPAC name of 6-methylchromeno[2,3-b][1,5]benzodiazepin-13-one (CID 3054332) is 6-methylchromeno[2,3-b][1,5]benzodiazepin-13-one.
What is the SMILES notation for 6-methylchromeno[2,3-b][1,5]benzodiazepin-13-one?
The canonical SMILES for 6-methylchromeno[2,3-b][1,5]benzodiazepin-13-one is CN1c2ccccc2N=Cc2c1oc1ccccc1c2=O.
What is the InChIKey of 6-methylchromeno[2,3-b][1,5]benzodiazepin-13-one?
The InChIKey is ZUCZKQGHEWMBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c1-19-14-8-4-3-7-13(14)18-10-12-16(20)11-6-2-5-9-15(11)21-17(12)19/h2-10H,1H3.
What are the key properties of 6-methylchromeno[2,3-b][1,5]benzodiazepin-13-one?
6-methylchromeno[2,3-b][1,5]benzodiazepin-13-one has a molecular weight of 276.30 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylchromeno[2,3-b][1,5]benzodiazepin-13-one is sourced from PubChem (CID 3054332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).