5-ethyl-7-(3-fluorophenyl)-9-methoxy-2-pyridin-2-yl-3H-1-benzazepine

C24H21FN2O — CID 123507676

IUPAC5-ethyl-7-(3-fluorophenyl)-9-methoxy-2-pyridin-2-yl-3H-1-benzazepine
SMILESCCC1=CCC(c2ccccn2)=Nc2c(OC)cc(-c3cccc(F)c3)cc21
InChIInChI=1S/C24H21FN2O/c1-3-16-10-11-22(21-9-4-5-12-26-21)27-24-20(16)14-18(15-23(24)28-2)17-7-6-8-19(25)13-17/h4-10,12-15H,3,11H2,1-2H3
InChIKeyUIAWMRKRSJWJQK-UHFFFAOYSA-N
MW372.44 g/mol
LogP6.21
Rot. Bonds4

About 5-ethyl-7-(3-fluorophenyl)-9-methoxy-2-pyridin-2-yl-3H-1-benzazepine

5-ethyl-7-(3-fluorophenyl)-9-methoxy-2-pyridin-2-yl-3H-1-benzazepine (PubChem CID 123507676) has the molecular formula C24H21FN2O and a molecular weight of 372.44 g/mol. Its IUPAC name is 5-ethyl-7-(3-fluorophenyl)-9-methoxy-2-pyridin-2-yl-3H-1-benzazepine.

Molecular Properties

Compound Name5-ethyl-7-(3-fluorophenyl)-9-methoxy-2-pyridin-2-yl-3H-1-benzazepine
PubChem CID123507676
Molecular FormulaC24H21FN2O
Molecular Weight372.44 g/mol
Exact Mass372.16
IUPAC Name5-ethyl-7-(3-fluorophenyl)-9-methoxy-2-pyridin-2-yl-3H-1-benzazepine
SMILESCCC1=CCC(c2ccccn2)=Nc2c(OC)cc(-c3cccc(F)c3)cc21
InChIInChI=1S/C24H21FN2O/c1-3-16-10-11-22(21-9-4-5-12-26-21)27-24-20(16)14-18(15-23(24)28-2)17-7-6-8-19(25)13-17/h4-10,12-15H,3,11H2,1-2H3
InChIKeyUIAWMRKRSJWJQK-UHFFFAOYSA-N
XLogP6.21
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.44
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(2-Fluorophenyl)-5-[(5-methoxy-3-pyridinyl)methyl]pyridine
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CID 11637689
3-(6-Methoxynaphth-2-ylmethylene)anabaseine
CID 15982063
4-[(E)-2-[6-[(E)-2-(4-amino-3-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyaniline
CID 24785416
4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)-3-methoxyphenyl]ethenyl]-2-pyridinyl]ethenyl]-2-methoxy-N,N-dimethylaniline
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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-(3-fluorophenyl)-9-methoxy-2-pyridin-2-yl-3H-1-benzazepine?
The IUPAC name of 5-ethyl-7-(3-fluorophenyl)-9-methoxy-2-pyridin-2-yl-3H-1-benzazepine (CID 123507676) is 5-ethyl-7-(3-fluorophenyl)-9-methoxy-2-pyridin-2-yl-3H-1-benzazepine.
What is the SMILES notation for 5-ethyl-7-(3-fluorophenyl)-9-methoxy-2-pyridin-2-yl-3H-1-benzazepine?
The canonical SMILES for 5-ethyl-7-(3-fluorophenyl)-9-methoxy-2-pyridin-2-yl-3H-1-benzazepine is CCC1=CCC(c2ccccn2)=Nc2c(OC)cc(-c3cccc(F)c3)cc21.
What is the InChIKey of 5-ethyl-7-(3-fluorophenyl)-9-methoxy-2-pyridin-2-yl-3H-1-benzazepine?
The InChIKey is UIAWMRKRSJWJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O/c1-3-16-10-11-22(21-9-4-5-12-26-21)27-24-20(16)14-18(15-23(24)28-2)17-7-6-8-19(25)13-17/h4-10,12-15H,3,11H2,1-2H3.
What are the key properties of 5-ethyl-7-(3-fluorophenyl)-9-methoxy-2-pyridin-2-yl-3H-1-benzazepine?
5-ethyl-7-(3-fluorophenyl)-9-methoxy-2-pyridin-2-yl-3H-1-benzazepine has a molecular weight of 372.44 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-(3-fluorophenyl)-9-methoxy-2-pyridin-2-yl-3H-1-benzazepine is sourced from PubChem (CID 123507676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).