4-phenyl-3,10-dihydrofuro[3,4-b][1,5]benzodiazepin-1-one

C17H12N2O2 — CID 15141750

IUPAC4-phenyl-3,10-dihydrofuro[3,4-b][1,5]benzodiazepin-1-one
SMILESO=C1OCC2=C1Nc1ccccc1N=C2c1ccccc1
InChIInChI=1S/C17H12N2O2/c20-17-16-12(10-21-17)15(11-6-2-1-3-7-11)18-13-8-4-5-9-14(13)19-16/h1-9,19H,10H2
InChIKeyBMCOQJLKDXWOKQ-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.04
Rot. Bonds1

About 4-phenyl-3,10-dihydrofuro[3,4-b][1,5]benzodiazepin-1-one

4-phenyl-3,10-dihydrofuro[3,4-b][1,5]benzodiazepin-1-one (PubChem CID 15141750) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-phenyl-3,10-dihydrofuro[3,4-b][1,5]benzodiazepin-1-one.

Molecular Properties

Compound Name4-phenyl-3,10-dihydrofuro[3,4-b][1,5]benzodiazepin-1-one
PubChem CID15141750
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name4-phenyl-3,10-dihydrofuro[3,4-b][1,5]benzodiazepin-1-one
SMILESO=C1OCC2=C1Nc1ccccc1N=C2c1ccccc1
InChIInChI=1S/C17H12N2O2/c20-17-16-12(10-21-17)15(11-6-2-1-3-7-11)18-13-8-4-5-9-14(13)19-16/h1-9,19H,10H2
InChIKeyBMCOQJLKDXWOKQ-UHFFFAOYSA-N
XLogP3.04
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3,10-dihydrofuro[3,4-b][1,5]benzodiazepin-1-one?
The IUPAC name of 4-phenyl-3,10-dihydrofuro[3,4-b][1,5]benzodiazepin-1-one (CID 15141750) is 4-phenyl-3,10-dihydrofuro[3,4-b][1,5]benzodiazepin-1-one.
What is the SMILES notation for 4-phenyl-3,10-dihydrofuro[3,4-b][1,5]benzodiazepin-1-one?
The canonical SMILES for 4-phenyl-3,10-dihydrofuro[3,4-b][1,5]benzodiazepin-1-one is O=C1OCC2=C1Nc1ccccc1N=C2c1ccccc1.
What is the InChIKey of 4-phenyl-3,10-dihydrofuro[3,4-b][1,5]benzodiazepin-1-one?
The InChIKey is BMCOQJLKDXWOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c20-17-16-12(10-21-17)15(11-6-2-1-3-7-11)18-13-8-4-5-9-14(13)19-16/h1-9,19H,10H2.
What are the key properties of 4-phenyl-3,10-dihydrofuro[3,4-b][1,5]benzodiazepin-1-one?
4-phenyl-3,10-dihydrofuro[3,4-b][1,5]benzodiazepin-1-one has a molecular weight of 276.30 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3,10-dihydrofuro[3,4-b][1,5]benzodiazepin-1-one is sourced from PubChem (CID 15141750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).