8-methoxy-7-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

C17H17NO2 — CID 51056610

IUPAC8-methoxy-7-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCOc1cc2c(cc1-c1ccccc1)CCCC(=O)N2
InChIInChI=1S/C17H17NO2/c1-20-16-11-15-13(8-5-9-17(19)18-15)10-14(16)12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,18,19)
InChIKeyQJDKMPSPKKQFKC-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.64
Rot. Bonds2

About 8-methoxy-7-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

8-methoxy-7-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 51056610) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 8-methoxy-7-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name8-methoxy-7-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID51056610
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name8-methoxy-7-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCOc1cc2c(cc1-c1ccccc1)CCCC(=O)N2
InChIInChI=1S/C17H17NO2/c1-20-16-11-15-13(8-5-9-17(19)18-15)10-14(16)12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,18,19)
InChIKeyQJDKMPSPKKQFKC-UHFFFAOYSA-N
XLogP3.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-amino-8-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 71755958
6-methoxy-7-phenyl-1,2,3,4-tetrahydroquinoline
CID 23078397
ethane;1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 91147283
(4R)-4-(2-methoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 973947
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699
methane;1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 143703020
8-(4-methylphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 57076404
5-(4-methoxy-3-phenylphenyl)piperidin-2-one
CID 67536605
(5S)-5-(4-methoxy-3-phenylphenyl)piperidin-2-one
CID 67536603
7,8-dimethoxy-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one
CID 22762348
6-(3-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 163249682
7-[chloro(phenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61086259

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-7-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 8-methoxy-7-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 51056610) is 8-methoxy-7-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 8-methoxy-7-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 8-methoxy-7-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one is COc1cc2c(cc1-c1ccccc1)CCCC(=O)N2.
What is the InChIKey of 8-methoxy-7-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is QJDKMPSPKKQFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-20-16-11-15-13(8-5-9-17(19)18-15)10-14(16)12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,18,19).
What are the key properties of 8-methoxy-7-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
8-methoxy-7-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 267.33 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-7-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 51056610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).