(5R)-5-(4-methoxyphenyl)-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one

C18H19NO2 — CID 124647171

IUPAC(5R)-5-(4-methoxyphenyl)-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one
SMILESCOc1ccc([C@H]2C(=O)N(C)CCc3ccccc32)cc1
InChIInChI=1S/C18H19NO2/c1-19-12-11-13-5-3-4-6-16(13)17(18(19)20)14-7-9-15(21-2)10-8-14/h3-10,17H,11-12H2,1-2H3/t17-/m1/s1
InChIKeyNPUSDFZJWUCQQZ-QGZVFWFLSA-N
MW281.36 g/mol
LogP2.84
Rot. Bonds2

About (5R)-5-(4-methoxyphenyl)-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one

(5R)-5-(4-methoxyphenyl)-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one (PubChem CID 124647171) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (5R)-5-(4-methoxyphenyl)-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one.

Molecular Properties

Compound Name(5R)-5-(4-methoxyphenyl)-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one
PubChem CID124647171
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(5R)-5-(4-methoxyphenyl)-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one
SMILESCOc1ccc([C@H]2C(=O)N(C)CCc3ccccc32)cc1
InChIInChI=1S/C18H19NO2/c1-19-12-11-13-5-3-4-6-16(13)17(18(19)20)14-7-9-15(21-2)10-8-14/h3-10,17H,11-12H2,1-2H3/t17-/m1/s1
InChIKeyNPUSDFZJWUCQQZ-QGZVFWFLSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-5-phenyl-2,5-dihydro-1H-3-benzazepin-4-one
CID 122217133
3-methyl-5-(3-methylphenyl)-2,5-dihydro-1H-3-benzazepin-4-one
CID 102197918
3-methyl-5-(2-methylcyclopenten-1-yl)-2,5-dihydro-1H-3-benzazepin-4-one
CID 57120150
(5S)-8-chloro-7-methoxy-3-methyl-5-phenyl-2,5-dihydro-1H-3-benzazepin-4-one
CID 67831904
3,5-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one;ethane
CID 90705389
(1R)-1-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 132584955
1-(2,3-dihydro-1H-inden-1-yl)-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one
CID 118217179
1-(4-methoxyphenyl)-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 110628144
[1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-thiophen-2-ylmethanone
CID 110288971
1-[(4-methoxyphenyl)methyl]-2-propyl-3,4-dihydro-1H-isoquinoline
CID 71396455
1-(4-tert-butylphenyl)-2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline
CID 102390709
(3R,10bR)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline
CID 92699000

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-methoxyphenyl)-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one?
The IUPAC name of (5R)-5-(4-methoxyphenyl)-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one (CID 124647171) is (5R)-5-(4-methoxyphenyl)-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one.
What is the SMILES notation for (5R)-5-(4-methoxyphenyl)-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one?
The canonical SMILES for (5R)-5-(4-methoxyphenyl)-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one is COc1ccc([C@H]2C(=O)N(C)CCc3ccccc32)cc1.
What is the InChIKey of (5R)-5-(4-methoxyphenyl)-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one?
The InChIKey is NPUSDFZJWUCQQZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19NO2/c1-19-12-11-13-5-3-4-6-16(13)17(18(19)20)14-7-9-15(21-2)10-8-14/h3-10,17H,11-12H2,1-2H3/t17-/m1/s1.
What are the key properties of (5R)-5-(4-methoxyphenyl)-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one?
(5R)-5-(4-methoxyphenyl)-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one has a molecular weight of 281.36 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-methoxyphenyl)-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one is sourced from PubChem (CID 124647171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).