6-[(1S)-1-phenylethyl]benzo[d][2]benzazepine-5,7-dione

C22H17NO2 — CID 12914074

IUPAC6-[(1S)-1-phenylethyl]benzo[d][2]benzazepine-5,7-dione
SMILESC[C@@H](c1ccccc1)n1c(=O)c2ccccc2c2ccccc2c1=O
InChIInChI=1S/C22H17NO2/c1-15(16-9-3-2-4-10-16)23-21(24)19-13-7-5-11-17(19)18-12-6-8-14-20(18)22(23)25/h2-15H,1H3/t15-/m0/s1
InChIKeyQQGHNLIZIKAXRG-HNNXBMFYSA-N
MW327.38 g/mol
LogP4.12
Rot. Bonds2

About 6-[(1S)-1-phenylethyl]benzo[d][2]benzazepine-5,7-dione

6-[(1S)-1-phenylethyl]benzo[d][2]benzazepine-5,7-dione (PubChem CID 12914074) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 6-[(1S)-1-phenylethyl]benzo[d][2]benzazepine-5,7-dione.

Molecular Properties

Compound Name6-[(1S)-1-phenylethyl]benzo[d][2]benzazepine-5,7-dione
PubChem CID12914074
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name6-[(1S)-1-phenylethyl]benzo[d][2]benzazepine-5,7-dione
SMILESC[C@@H](c1ccccc1)n1c(=O)c2ccccc2c2ccccc2c1=O
InChIInChI=1S/C22H17NO2/c1-15(16-9-3-2-4-10-16)23-21(24)19-13-7-5-11-17(19)18-12-6-8-14-20(18)22(23)25/h2-15H,1H3/t15-/m0/s1
InChIKeyQQGHNLIZIKAXRG-HNNXBMFYSA-N
XLogP4.12
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-bis[(1S)-1-phenylethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 1226046
9-(1-phenylethyl)carbazole
CID 154375313
4-methyl-2-[(1S)-1-phenylethyl]isoquinolin-1-one
CID 102208891
4-[1-(2,4-dioxo-1H-quinazolin-3-yl)ethyl]benzoic acid
CID 66893674
2-phenacylsulfanyl-3-[(1R)-1-phenylethyl]quinazolin-4-one
CID 7500866
3-[1-(4-chlorophenyl)ethyl]-1H-quinazoline-2,4-dione
CID 68743777
6,7-dimethoxy-3-(1-phenylethyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 4889991
3-[1-(4-methoxyphenyl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 17021441
4,5-dihydroxy-3-(1-phenylethyl)-1H-imidazol-2-one
CID 91177320
3-[(1R)-1-(4-chlorophenyl)ethyl]-1-methylquinazoline-2,4-dione
CID 118499009
N-benzyl-2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide
CID 2118283
N-benzyl-2-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide
CID 2118284

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-phenylethyl]benzo[d][2]benzazepine-5,7-dione?
The IUPAC name of 6-[(1S)-1-phenylethyl]benzo[d][2]benzazepine-5,7-dione (CID 12914074) is 6-[(1S)-1-phenylethyl]benzo[d][2]benzazepine-5,7-dione.
What is the SMILES notation for 6-[(1S)-1-phenylethyl]benzo[d][2]benzazepine-5,7-dione?
The canonical SMILES for 6-[(1S)-1-phenylethyl]benzo[d][2]benzazepine-5,7-dione is C[C@@H](c1ccccc1)n1c(=O)c2ccccc2c2ccccc2c1=O.
What is the InChIKey of 6-[(1S)-1-phenylethyl]benzo[d][2]benzazepine-5,7-dione?
The InChIKey is QQGHNLIZIKAXRG-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H17NO2/c1-15(16-9-3-2-4-10-16)23-21(24)19-13-7-5-11-17(19)18-12-6-8-14-20(18)22(23)25/h2-15H,1H3/t15-/m0/s1.
What are the key properties of 6-[(1S)-1-phenylethyl]benzo[d][2]benzazepine-5,7-dione?
6-[(1S)-1-phenylethyl]benzo[d][2]benzazepine-5,7-dione has a molecular weight of 327.38 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-phenylethyl]benzo[d][2]benzazepine-5,7-dione is sourced from PubChem (CID 12914074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).