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N-ethyl-2-[7-(4-fluorophenyl)-10-methoxy-2-methyl-3-oxo-5H-pyrido[4,3-d][2]benzazepin-5-yl]acetamide

C25H24FN3O3 — CID 153431674

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-ethyl-2-[7-(4-fluorophenyl)-10-methoxy-2-methyl-3-oxo-5H-pyrido[4,3-d][2]benzazepin-5-yl]acetamide
SMILESCCNC(=O)CC1N=C(c2ccc(F)cc2)c2ccc(OC)cc2-c2cn(C)c(=O)cc21
InChIInChI=1S/C25H24FN3O3/c1-4-27-23(30)13-22-20-12-24(31)29(2)14-21(20)19-11-17(32-3)9-10-18(19)25(28-22)15-5-7-16(26)8-6-15/h5-12,14,22H,4,13H2,1-3H3,(H,27,30)
InChIKeyUOEWXOQHIWYBTP-UHFFFAOYSA-N
MW433.48 g/mol
LogP3.62
Rot. Bonds5

About N-ethyl-2-[7-(4-fluorophenyl)-10-methoxy-2-methyl-3-oxo-5H-pyrido[4,3-d][2]benzazepin-5-yl]acetamide

N-ethyl-2-[7-(4-fluorophenyl)-10-methoxy-2-methyl-3-oxo-5H-pyrido[4,3-d][2]benzazepin-5-yl]acetamide (PubChem CID 153431674) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is N-ethyl-2-[7-(4-fluorophenyl)-10-methoxy-2-methyl-3-oxo-5H-pyrido[4,3-d][2]benzazepin-5-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[7-(4-fluorophenyl)-10-methoxy-2-methyl-3-oxo-5H-pyrido[4,3-d][2]benzazepin-5-yl]acetamide
PubChem CID153431674
Molecular FormulaC25H24FN3O3
Molecular Weight433.48 g/mol
Exact Mass433.18
IUPAC NameN-ethyl-2-[7-(4-fluorophenyl)-10-methoxy-2-methyl-3-oxo-5H-pyrido[4,3-d][2]benzazepin-5-yl]acetamide
SMILESCCNC(=O)CC1N=C(c2ccc(F)cc2)c2ccc(OC)cc2-c2cn(C)c(=O)cc21
InChIInChI=1S/C25H24FN3O3/c1-4-27-23(30)13-22-20-12-24(31)29(2)14-21(20)19-11-17(32-3)9-10-18(19)25(28-22)15-5-7-16(26)8-6-15/h5-12,14,22H,4,13H2,1-3H3,(H,27,30)
InChIKeyUOEWXOQHIWYBTP-UHFFFAOYSA-N
XLogP3.62
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[7-(4-fluorophenyl)-10-methoxy-2-methyl-3-oxo-5H-pyrido[4,3-d][2]benzazepin-5-yl]acetamide?
The IUPAC name of N-ethyl-2-[7-(4-fluorophenyl)-10-methoxy-2-methyl-3-oxo-5H-pyrido[4,3-d][2]benzazepin-5-yl]acetamide (CID 153431674) is N-ethyl-2-[7-(4-fluorophenyl)-10-methoxy-2-methyl-3-oxo-5H-pyrido[4,3-d][2]benzazepin-5-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[7-(4-fluorophenyl)-10-methoxy-2-methyl-3-oxo-5H-pyrido[4,3-d][2]benzazepin-5-yl]acetamide?
The canonical SMILES for N-ethyl-2-[7-(4-fluorophenyl)-10-methoxy-2-methyl-3-oxo-5H-pyrido[4,3-d][2]benzazepin-5-yl]acetamide is CCNC(=O)CC1N=C(c2ccc(F)cc2)c2ccc(OC)cc2-c2cn(C)c(=O)cc21.
What is the InChIKey of N-ethyl-2-[7-(4-fluorophenyl)-10-methoxy-2-methyl-3-oxo-5H-pyrido[4,3-d][2]benzazepin-5-yl]acetamide?
The InChIKey is UOEWXOQHIWYBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3/c1-4-27-23(30)13-22-20-12-24(31)29(2)14-21(20)19-11-17(32-3)9-10-18(19)25(28-22)15-5-7-16(26)8-6-15/h5-12,14,22H,4,13H2,1-3H3,(H,27,30).
What are the key properties of N-ethyl-2-[7-(4-fluorophenyl)-10-methoxy-2-methyl-3-oxo-5H-pyrido[4,3-d][2]benzazepin-5-yl]acetamide?
N-ethyl-2-[7-(4-fluorophenyl)-10-methoxy-2-methyl-3-oxo-5H-pyrido[4,3-d][2]benzazepin-5-yl]acetamide has a molecular weight of 433.48 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[7-(4-fluorophenyl)-10-methoxy-2-methyl-3-oxo-5H-pyrido[4,3-d][2]benzazepin-5-yl]acetamide is sourced from PubChem (CID 153431674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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