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

C17H17NO2 — CID 102581392

IUPAC8-methoxy-5-phenyl-1,2,4,5-tetrahydro-2-benzazepin-3-one
SMILESCOc1ccc2c(c1)CNC(=O)CC2c1ccccc1
InChIInChI=1S/C17H17NO2/c1-20-14-7-8-15-13(9-14)11-18-17(19)10-16(15)12-5-3-2-4-6-12/h2-9,16H,10-11H2,1H3,(H,18,19)
InChIKeyQQVAKCMKQWZNRU-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.85
Rot. Bonds2

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

8-methoxy-5-phenyl-1,2,4,5-tetrahydro-2-benzazepin-3-one (PubChem CID 102581392) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 8-methoxy-5-phenyl-1,2,4,5-tetrahydro-2-benzazepin-3-one.

Molecular Properties

Compound Name8-methoxy-5-phenyl-1,2,4,5-tetrahydro-2-benzazepin-3-one
PubChem CID102581392
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name8-methoxy-5-phenyl-1,2,4,5-tetrahydro-2-benzazepin-3-one
SMILESCOc1ccc2c(c1)CNC(=O)CC2c1ccccc1
InChIInChI=1S/C17H17NO2/c1-20-14-7-8-15-13(9-14)11-18-17(19)10-16(15)12-5-3-2-4-6-12/h2-9,16H,10-11H2,1H3,(H,18,19)
InChIKeyQQVAKCMKQWZNRU-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-methylphenyl)-1,2,4,5-tetrahydro-2-benzazepin-3-one
CID 102460636
5-methoxy-1-phenyl-1,3-dihydroinden-2-one
CID 14640420
6-methoxy-1-phenyl-3,4-dihydro-1H-naphthalen-2-one
CID 10243928
(7S,11bR)-10-methoxy-7-phenyl-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one
CID 70381513
6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 6624972
(7S,11bS)-10-methoxy-7-phenyl-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one;dihydrochloride
CID 70381516
(4S)-4-(3-methoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 973945
8-methoxy-3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-3-benzazepin-2-one
CID 155907231
1-[(4R)-7-methoxy-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one
CID 167096930
(4S)-7-hydroxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 95166951
6-methoxy-4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one
CID 118052302
3-(3-methoxyphenyl)pyrrolidine-2,5-dione;tribromoborane
CID 157349957

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-phenyl-1,2,4,5-tetrahydro-2-benzazepin-3-one?
The IUPAC name of 8-methoxy-5-phenyl-1,2,4,5-tetrahydro-2-benzazepin-3-one (CID 102581392) is 8-methoxy-5-phenyl-1,2,4,5-tetrahydro-2-benzazepin-3-one.
What is the SMILES notation for 8-methoxy-5-phenyl-1,2,4,5-tetrahydro-2-benzazepin-3-one?
The canonical SMILES for 8-methoxy-5-phenyl-1,2,4,5-tetrahydro-2-benzazepin-3-one is COc1ccc2c(c1)CNC(=O)CC2c1ccccc1.
What is the InChIKey of 8-methoxy-5-phenyl-1,2,4,5-tetrahydro-2-benzazepin-3-one?
The InChIKey is QQVAKCMKQWZNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-20-14-7-8-15-13(9-14)11-18-17(19)10-16(15)12-5-3-2-4-6-12/h2-9,16H,10-11H2,1H3,(H,18,19).
What are the key properties of 8-methoxy-5-phenyl-1,2,4,5-tetrahydro-2-benzazepin-3-one?
8-methoxy-5-phenyl-1,2,4,5-tetrahydro-2-benzazepin-3-one has a molecular weight of 267.33 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-phenyl-1,2,4,5-tetrahydro-2-benzazepin-3-one is sourced from PubChem (CID 102581392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).