1-fluoro-3-hydroxy-6,9-dimethyl-5H-benzo[d][2]benzazepin-7-one

C16H14FNO2 — CID 167537104

IUPAC1-fluoro-3-hydroxy-6,9-dimethyl-5H-benzo[d][2]benzazepin-7-one
SMILESCc1ccc2c(c1)C(=O)N(C)Cc1cc(O)cc(F)c1-2
InChIInChI=1S/C16H14FNO2/c1-9-3-4-12-13(5-9)16(20)18(2)8-10-6-11(19)7-14(17)15(10)12/h3-7,19H,8H2,1-2H3
InChIKeyFCWBKAYOFWUQFV-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.09
Rot. Bonds

About 1-fluoro-3-hydroxy-6,9-dimethyl-5H-benzo[d][2]benzazepin-7-one

1-fluoro-3-hydroxy-6,9-dimethyl-5H-benzo[d][2]benzazepin-7-one (PubChem CID 167537104) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 1-fluoro-3-hydroxy-6,9-dimethyl-5H-benzo[d][2]benzazepin-7-one.

Molecular Properties

Compound Name1-fluoro-3-hydroxy-6,9-dimethyl-5H-benzo[d][2]benzazepin-7-one
PubChem CID167537104
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name1-fluoro-3-hydroxy-6,9-dimethyl-5H-benzo[d][2]benzazepin-7-one
SMILESCc1ccc2c(c1)C(=O)N(C)Cc1cc(O)cc(F)c1-2
InChIInChI=1S/C16H14FNO2/c1-9-3-4-12-13(5-9)16(20)18(2)8-10-6-11(19)7-14(17)15(10)12/h3-7,19H,8H2,1-2H3
InChIKeyFCWBKAYOFWUQFV-UHFFFAOYSA-N
XLogP3.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-3,9-dihydroxy-6-methyl-5H-benzo[d][2]benzazepin-7-one
CID 164598676
2,5-dimethylisoindole-1,3-dione;2,5-dimethyl-3H-isoindol-1-one
CID 142859605
2-methyl-5-(4-methylphenyl)-3H-isoindol-1-one
CID 123197449
7-chloro-5-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one
CID 123182235
3-methoxy-6,9-dimethyl-7H-benzo[d][2]benzazepin-5-one
CID 167573270
4-(2-fluoro-5-methylbenzoyl)-1-methylpiperazin-2-one
CID 64680512
5-(3,5-dimethylanilino)-2-methyl-3H-isoindol-1-one
CID 167299989
1-(2-chloro-6-fluoro-4-hydroxyphenyl)-5-methyl-3H-indol-2-one
CID 154584834
3,5,8-trimethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one
CID 70880376
CID 144533118
CID 144533118
5-fluoro-2-methyl-6-nitro-3H-isoindol-1-one
CID 142393403
2-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoic acid
CID 61263948

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-hydroxy-6,9-dimethyl-5H-benzo[d][2]benzazepin-7-one?
The IUPAC name of 1-fluoro-3-hydroxy-6,9-dimethyl-5H-benzo[d][2]benzazepin-7-one (CID 167537104) is 1-fluoro-3-hydroxy-6,9-dimethyl-5H-benzo[d][2]benzazepin-7-one.
What is the SMILES notation for 1-fluoro-3-hydroxy-6,9-dimethyl-5H-benzo[d][2]benzazepin-7-one?
The canonical SMILES for 1-fluoro-3-hydroxy-6,9-dimethyl-5H-benzo[d][2]benzazepin-7-one is Cc1ccc2c(c1)C(=O)N(C)Cc1cc(O)cc(F)c1-2.
What is the InChIKey of 1-fluoro-3-hydroxy-6,9-dimethyl-5H-benzo[d][2]benzazepin-7-one?
The InChIKey is FCWBKAYOFWUQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-9-3-4-12-13(5-9)16(20)18(2)8-10-6-11(19)7-14(17)15(10)12/h3-7,19H,8H2,1-2H3.
What are the key properties of 1-fluoro-3-hydroxy-6,9-dimethyl-5H-benzo[d][2]benzazepin-7-one?
1-fluoro-3-hydroxy-6,9-dimethyl-5H-benzo[d][2]benzazepin-7-one has a molecular weight of 271.29 g/mol, XLogP of 3.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-hydroxy-6,9-dimethyl-5H-benzo[d][2]benzazepin-7-one is sourced from PubChem (CID 167537104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).