2-methyl-6H-chromeno[2,3-b][1,5]benzodiazepin-13-one

C17H12N2O2 — CID 3054331

IUPAC2-methyl-6H-chromeno[2,3-b][1,5]benzodiazepin-13-one
SMILESCc1ccc2oc3c(c(=O)c2c1)C=Nc1ccccc1N3
InChIInChI=1S/C17H12N2O2/c1-10-6-7-15-11(8-10)16(20)12-9-18-13-4-2-3-5-14(13)19-17(12)21-15/h2-9,19H,1H3
InChIKeyNGRBCJLXDOSDST-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.91
Rot. Bonds

About 2-methyl-6H-chromeno[2,3-b][1,5]benzodiazepin-13-one

2-methyl-6H-chromeno[2,3-b][1,5]benzodiazepin-13-one (PubChem CID 3054331) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-methyl-6H-chromeno[2,3-b][1,5]benzodiazepin-13-one.

Molecular Properties

Compound Name2-methyl-6H-chromeno[2,3-b][1,5]benzodiazepin-13-one
PubChem CID3054331
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name2-methyl-6H-chromeno[2,3-b][1,5]benzodiazepin-13-one
SMILESCc1ccc2oc3c(c(=O)c2c1)C=Nc1ccccc1N3
InChIInChI=1S/C17H12N2O2/c1-10-6-7-15-11(8-10)16(20)12-9-18-13-4-2-3-5-14(13)19-17(12)21-15/h2-9,19H,1H3
InChIKeyNGRBCJLXDOSDST-UHFFFAOYSA-N
XLogP3.91
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6H-chromeno[2,3-b][1,5]benzodiazepin-13-one?
The IUPAC name of 2-methyl-6H-chromeno[2,3-b][1,5]benzodiazepin-13-one (CID 3054331) is 2-methyl-6H-chromeno[2,3-b][1,5]benzodiazepin-13-one.
What is the SMILES notation for 2-methyl-6H-chromeno[2,3-b][1,5]benzodiazepin-13-one?
The canonical SMILES for 2-methyl-6H-chromeno[2,3-b][1,5]benzodiazepin-13-one is Cc1ccc2oc3c(c(=O)c2c1)C=Nc1ccccc1N3.
What is the InChIKey of 2-methyl-6H-chromeno[2,3-b][1,5]benzodiazepin-13-one?
The InChIKey is NGRBCJLXDOSDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c1-10-6-7-15-11(8-10)16(20)12-9-18-13-4-2-3-5-14(13)19-17(12)21-15/h2-9,19H,1H3.
What are the key properties of 2-methyl-6H-chromeno[2,3-b][1,5]benzodiazepin-13-one?
2-methyl-6H-chromeno[2,3-b][1,5]benzodiazepin-13-one has a molecular weight of 276.30 g/mol, XLogP of 3.91, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6H-chromeno[2,3-b][1,5]benzodiazepin-13-one is sourced from PubChem (CID 3054331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).