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

C15H12FNO3 — CID 164598676

IUPAC1-fluoro-3,9-dihydroxy-6-methyl-5H-benzo[d][2]benzazepin-7-one
SMILESCN1Cc2cc(O)cc(F)c2-c2ccc(O)cc2C1=O
InChIInChI=1S/C15H12FNO3/c1-17-7-8-4-10(19)6-13(16)14(8)11-3-2-9(18)5-12(11)15(17)20/h2-6,18-19H,7H2,1H3
InChIKeyNPYWRFDMTYHCCJ-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.49
Rot. Bonds

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

1-fluoro-3,9-dihydroxy-6-methyl-5H-benzo[d][2]benzazepin-7-one (PubChem CID 164598676) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is 1-fluoro-3,9-dihydroxy-6-methyl-5H-benzo[d][2]benzazepin-7-one.

Molecular Properties

Compound Name1-fluoro-3,9-dihydroxy-6-methyl-5H-benzo[d][2]benzazepin-7-one
PubChem CID164598676
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Name1-fluoro-3,9-dihydroxy-6-methyl-5H-benzo[d][2]benzazepin-7-one
SMILESCN1Cc2cc(O)cc(F)c2-c2ccc(O)cc2C1=O
InChIInChI=1S/C15H12FNO3/c1-17-7-8-4-10(19)6-13(16)14(8)11-3-2-9(18)5-12(11)15(17)20/h2-6,18-19H,7H2,1H3
InChIKeyNPYWRFDMTYHCCJ-UHFFFAOYSA-N
XLogP2.49
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-fluoro-3-hydroxy-6,9-dimethyl-5H-benzo[d][2]benzazepin-7-one
CID 167537104
7-chloro-5-fluoro-6-hydroxy-2-methyl-3H-isoindol-1-one
CID 123182235
2,5-dimethylisoindole-1,3-dione;2,5-dimethyl-3H-isoindol-1-one
CID 142859605
5-fluoro-2-methyl-6-nitro-3H-isoindol-1-one
CID 142393403
2-methyl-5-(4-methylphenyl)-3H-isoindol-1-one
CID 123197449
5-hydroxy-2-(4-hydroxy-2,6-dimethylphenyl)isoindole-1,3-dione
CID 19793988
4,5-dimethyl-6H-phenanthridin-8-ol
CID 155017439
4-(2,6-difluoro-4-hydroxyphenyl)-3,5-difluorophenol
CID 22708583
5-methyl-6H-phenanthridin-3-ol
CID 21303886
2-butan-2-yl-5-hydroxyisoindole-1,3-dione
CID 130033227
2-methyl-6-sulfanyl-3H-isoindol-1-one
CID 146588374
(4E)-7-chloro-4-(1-methoxyethylidene)-2-methyl-1H-isoquinolin-3-one
CID 170902818

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3,9-dihydroxy-6-methyl-5H-benzo[d][2]benzazepin-7-one?
The IUPAC name of 1-fluoro-3,9-dihydroxy-6-methyl-5H-benzo[d][2]benzazepin-7-one (CID 164598676) is 1-fluoro-3,9-dihydroxy-6-methyl-5H-benzo[d][2]benzazepin-7-one.
What is the SMILES notation for 1-fluoro-3,9-dihydroxy-6-methyl-5H-benzo[d][2]benzazepin-7-one?
The canonical SMILES for 1-fluoro-3,9-dihydroxy-6-methyl-5H-benzo[d][2]benzazepin-7-one is CN1Cc2cc(O)cc(F)c2-c2ccc(O)cc2C1=O.
What is the InChIKey of 1-fluoro-3,9-dihydroxy-6-methyl-5H-benzo[d][2]benzazepin-7-one?
The InChIKey is NPYWRFDMTYHCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c1-17-7-8-4-10(19)6-13(16)14(8)11-3-2-9(18)5-12(11)15(17)20/h2-6,18-19H,7H2,1H3.
What are the key properties of 1-fluoro-3,9-dihydroxy-6-methyl-5H-benzo[d][2]benzazepin-7-one?
1-fluoro-3,9-dihydroxy-6-methyl-5H-benzo[d][2]benzazepin-7-one has a molecular weight of 273.26 g/mol, XLogP of 2.49, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3,9-dihydroxy-6-methyl-5H-benzo[d][2]benzazepin-7-one is sourced from PubChem (CID 164598676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).