pyrido[2,3-b][1,4]benzodiazepin-2-one

C12H7N3O — CID 67919580

IUPACpyrido[2,3-b][1,4]benzodiazepin-2-one
SMILESO=c1ccc2ncc3ccccc3nc-2n1
InChIInChI=1S/C12H7N3O/c16-11-6-5-10-12(15-11)14-9-4-2-1-3-8(9)7-13-10/h1-7H
InChIKeyLDZJARBEIDPEEY-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.49
Rot. Bonds

About pyrido[2,3-b][1,4]benzodiazepin-2-one

pyrido[2,3-b][1,4]benzodiazepin-2-one (PubChem CID 67919580) has the molecular formula C12H7N3O and a molecular weight of 209.21 g/mol. Its IUPAC name is pyrido[2,3-b][1,4]benzodiazepin-2-one.

Molecular Properties

Compound Namepyrido[2,3-b][1,4]benzodiazepin-2-one
PubChem CID67919580
Molecular FormulaC12H7N3O
Molecular Weight209.21 g/mol
Exact Mass209.06
IUPAC Namepyrido[2,3-b][1,4]benzodiazepin-2-one
SMILESO=c1ccc2ncc3ccccc3nc-2n1
InChIInChI=1S/C12H7N3O/c16-11-6-5-10-12(15-11)14-9-4-2-1-3-8(9)7-13-10/h1-7H
InChIKeyLDZJARBEIDPEEY-UHFFFAOYSA-N
XLogP1.49
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrido[2,3-b][1,4]benzodiazepin-2-one?
The IUPAC name of pyrido[2,3-b][1,4]benzodiazepin-2-one (CID 67919580) is pyrido[2,3-b][1,4]benzodiazepin-2-one.
What is the SMILES notation for pyrido[2,3-b][1,4]benzodiazepin-2-one?
The canonical SMILES for pyrido[2,3-b][1,4]benzodiazepin-2-one is O=c1ccc2ncc3ccccc3nc-2n1.
What is the InChIKey of pyrido[2,3-b][1,4]benzodiazepin-2-one?
The InChIKey is LDZJARBEIDPEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O/c16-11-6-5-10-12(15-11)14-9-4-2-1-3-8(9)7-13-10/h1-7H.
What are the key properties of pyrido[2,3-b][1,4]benzodiazepin-2-one?
pyrido[2,3-b][1,4]benzodiazepin-2-one has a molecular weight of 209.21 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrido[2,3-b][1,4]benzodiazepin-2-one is sourced from PubChem (CID 67919580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).