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

C18H14N2O2 — CID 3054333

IUPAC2,6-dimethylchromeno[2,3-b][1,5]benzodiazepin-13-one
SMILESCc1ccc2oc3c(c(=O)c2c1)C=Nc1ccccc1N3C
InChIInChI=1S/C18H14N2O2/c1-11-7-8-16-12(9-11)17(21)13-10-19-14-5-3-4-6-15(14)20(2)18(13)22-16/h3-10H,1-2H3
InChIKeyLXCFRHJGQKKFCC-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.93
Rot. Bonds

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

2,6-dimethylchromeno[2,3-b][1,5]benzodiazepin-13-one (PubChem CID 3054333) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2,6-dimethylchromeno[2,3-b][1,5]benzodiazepin-13-one.

Molecular Properties

Compound Name2,6-dimethylchromeno[2,3-b][1,5]benzodiazepin-13-one
PubChem CID3054333
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name2,6-dimethylchromeno[2,3-b][1,5]benzodiazepin-13-one
SMILESCc1ccc2oc3c(c(=O)c2c1)C=Nc1ccccc1N3C
InChIInChI=1S/C18H14N2O2/c1-11-7-8-16-12(9-11)17(21)13-10-19-14-5-3-4-6-15(14)20(2)18(13)22-16/h3-10H,1-2H3
InChIKeyLXCFRHJGQKKFCC-UHFFFAOYSA-N
XLogP3.93
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylchromeno[2,3-b][1,5]benzodiazepin-13-one?
The IUPAC name of 2,6-dimethylchromeno[2,3-b][1,5]benzodiazepin-13-one (CID 3054333) is 2,6-dimethylchromeno[2,3-b][1,5]benzodiazepin-13-one.
What is the SMILES notation for 2,6-dimethylchromeno[2,3-b][1,5]benzodiazepin-13-one?
The canonical SMILES for 2,6-dimethylchromeno[2,3-b][1,5]benzodiazepin-13-one is Cc1ccc2oc3c(c(=O)c2c1)C=Nc1ccccc1N3C.
What is the InChIKey of 2,6-dimethylchromeno[2,3-b][1,5]benzodiazepin-13-one?
The InChIKey is LXCFRHJGQKKFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-11-7-8-16-12(9-11)17(21)13-10-19-14-5-3-4-6-15(14)20(2)18(13)22-16/h3-10H,1-2H3.
What are the key properties of 2,6-dimethylchromeno[2,3-b][1,5]benzodiazepin-13-one?
2,6-dimethylchromeno[2,3-b][1,5]benzodiazepin-13-one has a molecular weight of 290.32 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylchromeno[2,3-b][1,5]benzodiazepin-13-one is sourced from PubChem (CID 3054333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).