6,11-dihydropyrido[2,3-b][1]benzazepin-5-one

C13H10N2O — CID 58901622

IUPAC6,11-dihydropyrido[2,3-b][1]benzazepin-5-one
SMILESO=C1Cc2ccccc2Nc2ncccc21
InChIInChI=1S/C13H10N2O/c16-12-8-9-4-1-2-6-11(9)15-13-10(12)5-3-7-14-13/h1-7H,8H2,(H,14,15)
InChIKeyLQQASBXXQXVPRI-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.56
Rot. Bonds

About 6,11-dihydropyrido[2,3-b][1]benzazepin-5-one

6,11-dihydropyrido[2,3-b][1]benzazepin-5-one (PubChem CID 58901622) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 6,11-dihydropyrido[2,3-b][1]benzazepin-5-one.

Molecular Properties

Compound Name6,11-dihydropyrido[2,3-b][1]benzazepin-5-one
PubChem CID58901622
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name6,11-dihydropyrido[2,3-b][1]benzazepin-5-one
SMILESO=C1Cc2ccccc2Nc2ncccc21
InChIInChI=1S/C13H10N2O/c16-12-8-9-4-1-2-6-11(9)15-13-10(12)5-3-7-14-13/h1-7H,8H2,(H,14,15)
InChIKeyLQQASBXXQXVPRI-UHFFFAOYSA-N
XLogP2.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,11-dihydropyrimido[4,5-b][1]benzazepin-5-one
CID 70562575
7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione
CID 55255707
tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione
CID 163817575
9,10-dihydroacridine
CID 137366999
1,3-dihydroindol-2-one;trihydrochloride
CID 66960013
cyclopenta[b]pyridine-5,7-dione
CID 20617921
3-methoxy-6,11-dihydrobenzo[b][1]benzazepin-5-one
CID 175999175
1,3-dihydroindol-2-one;ethane
CID 54350510
2-phenyl-2,3-dihydro-1H-1,8-naphthyridin-4-one
CID 132536769
ethane;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-one
CID 91187219
1,3-dihydroindol-2-one;pyrrolo[3,2-b]pyrrole
CID 175423185
1,3-dihydroindol-2-one;imidazolidin-2-one
CID 70182850

Frequently Asked Questions

What is the IUPAC name of 6,11-dihydropyrido[2,3-b][1]benzazepin-5-one?
The IUPAC name of 6,11-dihydropyrido[2,3-b][1]benzazepin-5-one (CID 58901622) is 6,11-dihydropyrido[2,3-b][1]benzazepin-5-one.
What is the SMILES notation for 6,11-dihydropyrido[2,3-b][1]benzazepin-5-one?
The canonical SMILES for 6,11-dihydropyrido[2,3-b][1]benzazepin-5-one is O=C1Cc2ccccc2Nc2ncccc21.
What is the InChIKey of 6,11-dihydropyrido[2,3-b][1]benzazepin-5-one?
The InChIKey is LQQASBXXQXVPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c16-12-8-9-4-1-2-6-11(9)15-13-10(12)5-3-7-14-13/h1-7H,8H2,(H,14,15).
What are the key properties of 6,11-dihydropyrido[2,3-b][1]benzazepin-5-one?
6,11-dihydropyrido[2,3-b][1]benzazepin-5-one has a molecular weight of 210.24 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-dihydropyrido[2,3-b][1]benzazepin-5-one is sourced from PubChem (CID 58901622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).