13a,14,14a,14b-tetrahydro-9aH-isoquinolino[3,2-a][2]benzazepin-9-one

C18H17NO — CID 123883569

IUPAC13a,14,14a,14b-tetrahydro-9aH-isoquinolino[3,2-a][2]benzazepin-9-one
SMILESO=C1C2C=CC=CC2CC2C3C=CC=CC3=CC=CN12
InChIInChI=1S/C18H17NO/c20-18-16-10-4-2-7-14(16)12-17-15-9-3-1-6-13(15)8-5-11-19(17)18/h1-11,14-17H,12H2
InChIKeyLZFOKDGCTJYAHQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.14
Rot. Bonds

About 13a,14,14a,14b-tetrahydro-9aH-isoquinolino[3,2-a][2]benzazepin-9-one

13a,14,14a,14b-tetrahydro-9aH-isoquinolino[3,2-a][2]benzazepin-9-one (PubChem CID 123883569) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 13a,14,14a,14b-tetrahydro-9aH-isoquinolino[3,2-a][2]benzazepin-9-one.

Molecular Properties

Compound Name13a,14,14a,14b-tetrahydro-9aH-isoquinolino[3,2-a][2]benzazepin-9-one
PubChem CID123883569
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name13a,14,14a,14b-tetrahydro-9aH-isoquinolino[3,2-a][2]benzazepin-9-one
SMILESO=C1C2C=CC=CC2CC2C3C=CC=CC3=CC=CN12
InChIInChI=1S/C18H17NO/c20-18-16-10-4-2-7-14(16)12-17-15-9-3-1-6-13(15)8-5-11-19(17)18/h1-11,14-17H,12H2
InChIKeyLZFOKDGCTJYAHQ-UHFFFAOYSA-N
XLogP3.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 13a,14,14a,14b-tetrahydro-9aH-isoquinolino[3,2-a][2]benzazepin-9-one with MolForge

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Related Compounds

(5S)-6-[(1R)-4-fluorocyclohexa-2,4-dien-1-yl]-1,5-dimethylpiperidin-2-one
CID 70852566
1,2,3,6,8,9,10,11,11a,11b-Decahydrobenzo[a]quinolizin-4-one
CID 10774629
(4aR,8aR)-5-ethenyl-1,4a-dimethyl-4,7,8,8a-tetrahydro-3H-quinolin-2-one
CID 15460454
(6aR,10bS)-4,7,8,10b-tetramethyl-2,6,6a,7,8,9-hexahydro-1H-benzo[f]quinolin-3-one
CID 53981962
(6aS,10bR)-4,7,8,10b-tetramethyl-2,6,6a,7,8,9-hexahydro-1H-benzo[f]quinolin-3-one
CID 53981963
5,6,6a,7,8,12a-hexahydro-4aH-pyrido[1,2-b][2]benzazepin-12-one
CID 67512975
4-Prop-2-enyl-1,2,4a,6a,10a,10b-hexahydrobenzo[f]quinolin-3-one
CID 70192416
2-Methyl-5,6-bis(prop-1-en-2-yl)-2-azabicyclo[2.2.2]oct-5-en-3-one
CID 117963096
1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)decan-1-one
CID 154092949
4-Methyl-1-propan-2-yl-3,4,4a,5,6,7-hexahydroquinolin-2-one
CID 10081766

Frequently Asked Questions

What is the IUPAC name of 13a,14,14a,14b-tetrahydro-9aH-isoquinolino[3,2-a][2]benzazepin-9-one?
The IUPAC name of 13a,14,14a,14b-tetrahydro-9aH-isoquinolino[3,2-a][2]benzazepin-9-one (CID 123883569) is 13a,14,14a,14b-tetrahydro-9aH-isoquinolino[3,2-a][2]benzazepin-9-one.
What is the SMILES notation for 13a,14,14a,14b-tetrahydro-9aH-isoquinolino[3,2-a][2]benzazepin-9-one?
The canonical SMILES for 13a,14,14a,14b-tetrahydro-9aH-isoquinolino[3,2-a][2]benzazepin-9-one is O=C1C2C=CC=CC2CC2C3C=CC=CC3=CC=CN12.
What is the InChIKey of 13a,14,14a,14b-tetrahydro-9aH-isoquinolino[3,2-a][2]benzazepin-9-one?
The InChIKey is LZFOKDGCTJYAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c20-18-16-10-4-2-7-14(16)12-17-15-9-3-1-6-13(15)8-5-11-19(17)18/h1-11,14-17H,12H2.
What are the key properties of 13a,14,14a,14b-tetrahydro-9aH-isoquinolino[3,2-a][2]benzazepin-9-one?
13a,14,14a,14b-tetrahydro-9aH-isoquinolino[3,2-a][2]benzazepin-9-one has a molecular weight of 263.34 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13a,14,14a,14b-tetrahydro-9aH-isoquinolino[3,2-a][2]benzazepin-9-one is sourced from PubChem (CID 123883569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).