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

C18H14N2O2 — CID 3086796

IUPAC6-ethylchromeno[2,3-b][1,5]benzodiazepin-13-one
SMILESCCN1c2ccccc2N=Cc2c1oc1ccccc1c2=O
InChIInChI=1S/C18H14N2O2/c1-2-20-15-9-5-4-8-14(15)19-11-13-17(21)12-7-3-6-10-16(12)22-18(13)20/h3-11H,2H2,1H3
InChIKeyHJHUNLYWCZLFJZ-UHFFFAOYSA-N
MW290.32 g/mol
LogP4.01
Rot. Bonds1

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

6-ethylchromeno[2,3-b][1,5]benzodiazepin-13-one (PubChem CID 3086796) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 6-ethylchromeno[2,3-b][1,5]benzodiazepin-13-one.

Molecular Properties

Compound Name6-ethylchromeno[2,3-b][1,5]benzodiazepin-13-one
PubChem CID3086796
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name6-ethylchromeno[2,3-b][1,5]benzodiazepin-13-one
SMILESCCN1c2ccccc2N=Cc2c1oc1ccccc1c2=O
InChIInChI=1S/C18H14N2O2/c1-2-20-15-9-5-4-8-14(15)19-11-13-17(21)12-7-3-6-10-16(12)22-18(13)20/h3-11H,2H2,1H3
InChIKeyHJHUNLYWCZLFJZ-UHFFFAOYSA-N
XLogP4.01
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethylchromeno[2,3-b][1,5]benzodiazepin-13-one?
The IUPAC name of 6-ethylchromeno[2,3-b][1,5]benzodiazepin-13-one (CID 3086796) is 6-ethylchromeno[2,3-b][1,5]benzodiazepin-13-one.
What is the SMILES notation for 6-ethylchromeno[2,3-b][1,5]benzodiazepin-13-one?
The canonical SMILES for 6-ethylchromeno[2,3-b][1,5]benzodiazepin-13-one is CCN1c2ccccc2N=Cc2c1oc1ccccc1c2=O.
What is the InChIKey of 6-ethylchromeno[2,3-b][1,5]benzodiazepin-13-one?
The InChIKey is HJHUNLYWCZLFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-2-20-15-9-5-4-8-14(15)19-11-13-17(21)12-7-3-6-10-16(12)22-18(13)20/h3-11H,2H2,1H3.
What are the key properties of 6-ethylchromeno[2,3-b][1,5]benzodiazepin-13-one?
6-ethylchromeno[2,3-b][1,5]benzodiazepin-13-one has a molecular weight of 290.32 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylchromeno[2,3-b][1,5]benzodiazepin-13-one is sourced from PubChem (CID 3086796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).