7-(methylamino)-4-propan-2-yl-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepin-6-one

C18H26N2O — CID 58298373

IUPAC7-(methylamino)-4-propan-2-yl-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepin-6-one
SMILESCNC1Cc2ccccc2C2CCCC(C(C)C)N2C1=O
InChIInChI=1S/C18H26N2O/c1-12(2)16-9-6-10-17-14-8-5-4-7-13(14)11-15(19-3)18(21)20(16)17/h4-5,7-8,12,15-17,19H,6,9-11H2,1-3H3
InChIKeySGGPQJLOSCYJLH-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.91
Rot. Bonds2

About 7-(methylamino)-4-propan-2-yl-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepin-6-one

7-(methylamino)-4-propan-2-yl-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepin-6-one (PubChem CID 58298373) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 7-(methylamino)-4-propan-2-yl-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepin-6-one.

Molecular Properties

Compound Name7-(methylamino)-4-propan-2-yl-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepin-6-one
PubChem CID58298373
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name7-(methylamino)-4-propan-2-yl-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepin-6-one
SMILESCNC1Cc2ccccc2C2CCCC(C(C)C)N2C1=O
InChIInChI=1S/C18H26N2O/c1-12(2)16-9-6-10-17-14-8-5-4-7-13(14)11-15(19-3)18(21)20(16)17/h4-5,7-8,12,15-17,19H,6,9-11H2,1-3H3
InChIKeySGGPQJLOSCYJLH-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(methylamino)-4-propan-2-yl-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepin-6-one?
The IUPAC name of 7-(methylamino)-4-propan-2-yl-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepin-6-one (CID 58298373) is 7-(methylamino)-4-propan-2-yl-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepin-6-one.
What is the SMILES notation for 7-(methylamino)-4-propan-2-yl-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepin-6-one?
The canonical SMILES for 7-(methylamino)-4-propan-2-yl-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepin-6-one is CNC1Cc2ccccc2C2CCCC(C(C)C)N2C1=O.
What is the InChIKey of 7-(methylamino)-4-propan-2-yl-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepin-6-one?
The InChIKey is SGGPQJLOSCYJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12(2)16-9-6-10-17-14-8-5-4-7-13(14)11-15(19-3)18(21)20(16)17/h4-5,7-8,12,15-17,19H,6,9-11H2,1-3H3.
What are the key properties of 7-(methylamino)-4-propan-2-yl-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepin-6-one?
7-(methylamino)-4-propan-2-yl-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepin-6-one has a molecular weight of 286.42 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methylamino)-4-propan-2-yl-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepin-6-one is sourced from PubChem (CID 58298373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).