1-(2-quinolin-8-ylethyl)-1,3-diazinane-2,4-dione

C15H15N3O2 — CID 81423387

IUPAC1-(2-quinolin-8-ylethyl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(CCc2cccc3cccnc23)C(=O)N1
InChIInChI=1S/C15H15N3O2/c19-13-7-10-18(15(20)17-13)9-6-12-4-1-3-11-5-2-8-16-14(11)12/h1-5,8H,6-7,9-10H2,(H,17,19,20)
InChIKeyMHVBIQWCONSUPT-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.72
Rot. Bonds3

About 1-(2-quinolin-8-ylethyl)-1,3-diazinane-2,4-dione

1-(2-quinolin-8-ylethyl)-1,3-diazinane-2,4-dione (PubChem CID 81423387) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(2-quinolin-8-ylethyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(2-quinolin-8-ylethyl)-1,3-diazinane-2,4-dione
PubChem CID81423387
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-(2-quinolin-8-ylethyl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(CCc2cccc3cccnc23)C(=O)N1
InChIInChI=1S/C15H15N3O2/c19-13-7-10-18(15(20)17-13)9-6-12-4-1-3-11-5-2-8-16-14(11)12/h1-5,8H,6-7,9-10H2,(H,17,19,20)
InChIKeyMHVBIQWCONSUPT-UHFFFAOYSA-N
XLogP1.72
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-quinolin-8-ylethyl)-1,4-diazepane-2,5-dione
CID 81435951
4-(2-quinolin-8-ylethyl)piperazine-2,6-dione
CID 81424068
1-[2-(2-fluorophenyl)ethyl]-1,3-diazinane-2,4-dione
CID 79778174
1-[(3-ethyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione
CID 82744396
1-(2-quinolin-8-ylethyl)pyrrole-2-carboxylic acid
CID 81423377
8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621
[1-(2-quinolin-8-ylethyl)pyrrolidin-3-yl]methanamine
CID 81427571
3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17450906
1-(2-quinolin-8-ylethyl)tetrazol-5-amine
CID 81423181
aluminum quinolin-8-ylmethanol
CID 23124809
3-(quinolin-8-ylmethylamino)pyrrolidine-2,5-dione
CID 81426474
8-[2-(4-fluorophenyl)ethyl]quinoline
CID 143373037

Frequently Asked Questions

What is the IUPAC name of 1-(2-quinolin-8-ylethyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(2-quinolin-8-ylethyl)-1,3-diazinane-2,4-dione (CID 81423387) is 1-(2-quinolin-8-ylethyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(2-quinolin-8-ylethyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(2-quinolin-8-ylethyl)-1,3-diazinane-2,4-dione is O=C1CCN(CCc2cccc3cccnc23)C(=O)N1.
What is the InChIKey of 1-(2-quinolin-8-ylethyl)-1,3-diazinane-2,4-dione?
The InChIKey is MHVBIQWCONSUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-13-7-10-18(15(20)17-13)9-6-12-4-1-3-11-5-2-8-16-14(11)12/h1-5,8H,6-7,9-10H2,(H,17,19,20).
What are the key properties of 1-(2-quinolin-8-ylethyl)-1,3-diazinane-2,4-dione?
1-(2-quinolin-8-ylethyl)-1,3-diazinane-2,4-dione has a molecular weight of 269.30 g/mol, XLogP of 1.72, 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)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 81423387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).