1-(2-methoxyethyl)-4,6,7,8,9,10-hexahydro-3H-pyrido[2,3-h][3]benzazepin-2-one

C16H22N2O2 — CID 58495172

IUPAC1-(2-methoxyethyl)-4,6,7,8,9,10-hexahydro-3H-pyrido[2,3-h][3]benzazepin-2-one
SMILESCOCCN1C(=O)CCc2cc3c(cc21)CCNCC3
InChIInChI=1S/C16H22N2O2/c1-20-9-8-18-15-11-13-5-7-17-6-4-12(13)10-14(15)2-3-16(18)19/h10-11,17H,2-9H2,1H3
InChIKeyLWIRCCVEMHSKQK-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.30
Rot. Bonds3

About 1-(2-methoxyethyl)-4,6,7,8,9,10-hexahydro-3H-pyrido[2,3-h][3]benzazepin-2-one

1-(2-methoxyethyl)-4,6,7,8,9,10-hexahydro-3H-pyrido[2,3-h][3]benzazepin-2-one (PubChem CID 58495172) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4,6,7,8,9,10-hexahydro-3H-pyrido[2,3-h][3]benzazepin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4,6,7,8,9,10-hexahydro-3H-pyrido[2,3-h][3]benzazepin-2-one
PubChem CID58495172
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(2-methoxyethyl)-4,6,7,8,9,10-hexahydro-3H-pyrido[2,3-h][3]benzazepin-2-one
SMILESCOCCN1C(=O)CCc2cc3c(cc21)CCNCC3
InChIInChI=1S/C16H22N2O2/c1-20-9-8-18-15-11-13-5-7-17-6-4-12(13)10-14(15)2-3-16(18)19/h10-11,17H,2-9H2,1H3
InChIKeyLWIRCCVEMHSKQK-UHFFFAOYSA-N
XLogP1.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-methoxyethyl)-4,6,7,8,9,10-hexahydro-3H-pyrido[2,3-h][3]benzazepin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4,6,7,8,9,10-hexahydro-3H-pyrido[2,3-h][3]benzazepin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-4,6,7,8,9,10-hexahydro-3H-pyrido[2,3-h][3]benzazepin-2-one (CID 58495172) is 1-(2-methoxyethyl)-4,6,7,8,9,10-hexahydro-3H-pyrido[2,3-h][3]benzazepin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-4,6,7,8,9,10-hexahydro-3H-pyrido[2,3-h][3]benzazepin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-4,6,7,8,9,10-hexahydro-3H-pyrido[2,3-h][3]benzazepin-2-one is COCCN1C(=O)CCc2cc3c(cc21)CCNCC3.
What is the InChIKey of 1-(2-methoxyethyl)-4,6,7,8,9,10-hexahydro-3H-pyrido[2,3-h][3]benzazepin-2-one?
The InChIKey is LWIRCCVEMHSKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-20-9-8-18-15-11-13-5-7-17-6-4-12(13)10-14(15)2-3-16(18)19/h10-11,17H,2-9H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-4,6,7,8,9,10-hexahydro-3H-pyrido[2,3-h][3]benzazepin-2-one?
1-(2-methoxyethyl)-4,6,7,8,9,10-hexahydro-3H-pyrido[2,3-h][3]benzazepin-2-one has a molecular weight of 274.36 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4,6,7,8,9,10-hexahydro-3H-pyrido[2,3-h][3]benzazepin-2-one is sourced from PubChem (CID 58495172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).