1-(2-quinolin-8-ylethyl)-1,4-diazepane-2,5-dione

C16H17N3O2 — CID 81435951

IUPAC1-(2-quinolin-8-ylethyl)-1,4-diazepane-2,5-dione
SMILESO=C1CCN(CCc2cccc3cccnc23)C(=O)CN1
InChIInChI=1S/C16H17N3O2/c20-14-7-10-19(15(21)11-18-14)9-6-13-4-1-3-12-5-2-8-17-16(12)13/h1-5,8H,6-7,9-11H2,(H,18,20)
InChIKeyHFLHABJDUJCWMR-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.13
Rot. Bonds3

About 1-(2-quinolin-8-ylethyl)-1,4-diazepane-2,5-dione

1-(2-quinolin-8-ylethyl)-1,4-diazepane-2,5-dione (PubChem CID 81435951) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(2-quinolin-8-ylethyl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-(2-quinolin-8-ylethyl)-1,4-diazepane-2,5-dione
PubChem CID81435951
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-(2-quinolin-8-ylethyl)-1,4-diazepane-2,5-dione
SMILESO=C1CCN(CCc2cccc3cccnc23)C(=O)CN1
InChIInChI=1S/C16H17N3O2/c20-14-7-10-19(15(21)11-18-14)9-6-13-4-1-3-12-5-2-8-17-16(12)13/h1-5,8H,6-7,9-11H2,(H,18,20)
InChIKeyHFLHABJDUJCWMR-UHFFFAOYSA-N
XLogP1.13
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-quinolin-8-ylethyl)-1,3-diazinane-2,4-dione
CID 81423387
4-(2-quinolin-8-ylethyl)piperazine-2,6-dione
CID 81424068
1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,4-diazepane-2,5-dione
CID 106409665
1-(2-quinolin-8-ylethyl)pyrrole-2-carboxylic acid
CID 81423377
1-(3-phenylbutyl)-1,4-diazepane-2,5-dione
CID 64969982
[1-(2-quinolin-8-ylethyl)pyrrolidin-3-yl]methanamine
CID 81427571
1-(quinolin-4-ylmethyl)-1,4-diazepane-2,5-dione
CID 79240641
8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621
1-[(3-ethyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione
CID 82744396
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
3-quinolin-8-ylimidazolidine-2,4-dione
CID 106702916
1-(quinolin-8-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one
CID 42344492

Frequently Asked Questions

What is the IUPAC name of 1-(2-quinolin-8-ylethyl)-1,4-diazepane-2,5-dione?
The IUPAC name of 1-(2-quinolin-8-ylethyl)-1,4-diazepane-2,5-dione (CID 81435951) is 1-(2-quinolin-8-ylethyl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-(2-quinolin-8-ylethyl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-(2-quinolin-8-ylethyl)-1,4-diazepane-2,5-dione is O=C1CCN(CCc2cccc3cccnc23)C(=O)CN1.
What is the InChIKey of 1-(2-quinolin-8-ylethyl)-1,4-diazepane-2,5-dione?
The InChIKey is HFLHABJDUJCWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-14-7-10-19(15(21)11-18-14)9-6-13-4-1-3-12-5-2-8-17-16(12)13/h1-5,8H,6-7,9-11H2,(H,18,20).
What are the key properties of 1-(2-quinolin-8-ylethyl)-1,4-diazepane-2,5-dione?
1-(2-quinolin-8-ylethyl)-1,4-diazepane-2,5-dione has a molecular weight of 283.33 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-quinolin-8-ylethyl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 81435951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).