3-ethyl-1-quinolin-6-yl-1,4-diazepane-2,5-dione

C16H17N3O2 — CID 64969768

IUPAC3-ethyl-1-quinolin-6-yl-1,4-diazepane-2,5-dione
SMILESCCC1NC(=O)CCN(c2ccc3ncccc3c2)C1=O
InChIInChI=1S/C16H17N3O2/c1-2-13-16(21)19(9-7-15(20)18-13)12-5-6-14-11(10-12)4-3-8-17-14/h3-6,8,10,13H,2,7,9H2,1H3,(H,18,20)
InChIKeyXECCIJBKRQBWLN-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.87
Rot. Bonds2

About 3-ethyl-1-quinolin-6-yl-1,4-diazepane-2,5-dione

3-ethyl-1-quinolin-6-yl-1,4-diazepane-2,5-dione (PubChem CID 64969768) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-ethyl-1-quinolin-6-yl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-quinolin-6-yl-1,4-diazepane-2,5-dione
PubChem CID64969768
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-ethyl-1-quinolin-6-yl-1,4-diazepane-2,5-dione
SMILESCCC1NC(=O)CCN(c2ccc3ncccc3c2)C1=O
InChIInChI=1S/C16H17N3O2/c1-2-13-16(21)19(9-7-15(20)18-13)12-5-6-14-11(10-12)4-3-8-17-14/h3-6,8,10,13H,2,7,9H2,1H3,(H,18,20)
InChIKeyXECCIJBKRQBWLN-UHFFFAOYSA-N
XLogP1.87
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-propyl-1-quinolin-6-ylpiperazine-2,5-dione
CID 64969744
3-ethyl-1-(quinolin-6-ylmethyl)piperazine-2,5-dione
CID 64880979
1-(3,5-dimethoxyphenyl)-3-ethyl-1,4-diazepane-2,5-dione
CID 64956840
3-ethyl-1-(4-fluoro-3-methoxyphenyl)-1,4-diazepane-2,5-dione
CID 114840984
3-methyl-1-(quinolin-6-ylmethyl)-1,4-diazepane-2,5-dione
CID 64881992
1-(1,3-benzothiazol-6-yl)-3-propyl-1,4-diazepane-2,5-dione
CID 107806718
2-quinolin-6-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79922941
1-(1,3-benzothiazol-6-yl)-3-ethylpiperazine-2,5-dione
CID 107806702
3-ethyl-1-(2,4,5-trichlorophenyl)-1,4-diazepane-2,5-dione
CID 64961977
1-(4-bromo-2-methylphenyl)-3-ethyl-1,4-diazepane-2,5-dione
CID 64962609
8-quinolin-6-yl-8-azabicyclo[3.2.1]octan-3-one
CID 62738405
1-(3,4-difluorophenyl)-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 64957836

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-quinolin-6-yl-1,4-diazepane-2,5-dione?
The IUPAC name of 3-ethyl-1-quinolin-6-yl-1,4-diazepane-2,5-dione (CID 64969768) is 3-ethyl-1-quinolin-6-yl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-ethyl-1-quinolin-6-yl-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-ethyl-1-quinolin-6-yl-1,4-diazepane-2,5-dione is CCC1NC(=O)CCN(c2ccc3ncccc3c2)C1=O.
What is the InChIKey of 3-ethyl-1-quinolin-6-yl-1,4-diazepane-2,5-dione?
The InChIKey is XECCIJBKRQBWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-13-16(21)19(9-7-15(20)18-13)12-5-6-14-11(10-12)4-3-8-17-14/h3-6,8,10,13H,2,7,9H2,1H3,(H,18,20).
What are the key properties of 3-ethyl-1-quinolin-6-yl-1,4-diazepane-2,5-dione?
3-ethyl-1-quinolin-6-yl-1,4-diazepane-2,5-dione has a molecular weight of 283.33 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-quinolin-6-yl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64969768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).