7-(4-chloro-2-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one

C23H19ClN2O — CID 158295919

IUPAC7-(4-chloro-2-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one
SMILESCc1cc(C2=Nc3ccc(-c4ccc(Cl)cc4C)cc3CC(=O)C2)ccn1
InChIInChI=1S/C23H19ClN2O/c1-14-9-19(24)4-5-21(14)16-3-6-22-18(11-16)12-20(27)13-23(26-22)17-7-8-25-15(2)10-17/h3-11H,12-13H2,1-2H3
InChIKeySEEHPYKNIYANBA-UHFFFAOYSA-N
MW374.87 g/mol
LogP5.65
Rot. Bonds2

About 7-(4-chloro-2-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one

7-(4-chloro-2-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one (PubChem CID 158295919) has the molecular formula C23H19ClN2O and a molecular weight of 374.87 g/mol. Its IUPAC name is 7-(4-chloro-2-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one.

Molecular Properties

Compound Name7-(4-chloro-2-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one
PubChem CID158295919
Molecular FormulaC23H19ClN2O
Molecular Weight374.87 g/mol
Exact Mass374.12
IUPAC Name7-(4-chloro-2-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one
SMILESCc1cc(C2=Nc3ccc(-c4ccc(Cl)cc4C)cc3CC(=O)C2)ccn1
InChIInChI=1S/C23H19ClN2O/c1-14-9-19(24)4-5-21(14)16-3-6-22-18(11-16)12-20(27)13-23(26-22)17-7-8-25-15(2)10-17/h3-11H,12-13H2,1-2H3
InChIKeySEEHPYKNIYANBA-UHFFFAOYSA-N
XLogP5.65
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.87
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chloro-2-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one?
The IUPAC name of 7-(4-chloro-2-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one (CID 158295919) is 7-(4-chloro-2-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one.
What is the SMILES notation for 7-(4-chloro-2-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one?
The canonical SMILES for 7-(4-chloro-2-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one is Cc1cc(C2=Nc3ccc(-c4ccc(Cl)cc4C)cc3CC(=O)C2)ccn1.
What is the InChIKey of 7-(4-chloro-2-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one?
The InChIKey is SEEHPYKNIYANBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O/c1-14-9-19(24)4-5-21(14)16-3-6-22-18(11-16)12-20(27)13-23(26-22)17-7-8-25-15(2)10-17/h3-11H,12-13H2,1-2H3.
What are the key properties of 7-(4-chloro-2-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one?
7-(4-chloro-2-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one has a molecular weight of 374.87 g/mol, XLogP of 5.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chloro-2-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one is sourced from PubChem (CID 158295919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).