3-propyl-1-quinolin-6-ylpiperazine-2,5-dione

C16H17N3O2 — CID 64969744

IUPAC3-propyl-1-quinolin-6-ylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(c2ccc3ncccc3c2)C1=O
InChIInChI=1S/C16H17N3O2/c1-2-4-14-16(21)19(10-15(20)18-14)12-6-7-13-11(9-12)5-3-8-17-13/h3,5-9,14H,2,4,10H2,1H3,(H,18,20)
InChIKeyDQJBDYXBLWIZDH-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.87
Rot. Bonds3

About 3-propyl-1-quinolin-6-ylpiperazine-2,5-dione

3-propyl-1-quinolin-6-ylpiperazine-2,5-dione (PubChem CID 64969744) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-propyl-1-quinolin-6-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-propyl-1-quinolin-6-ylpiperazine-2,5-dione
PubChem CID64969744
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-propyl-1-quinolin-6-ylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(c2ccc3ncccc3c2)C1=O
InChIInChI=1S/C16H17N3O2/c1-2-4-14-16(21)19(10-15(20)18-14)12-6-7-13-11(9-12)5-3-8-17-13/h3,5-9,14H,2,4,10H2,1H3,(H,18,20)
InChIKeyDQJBDYXBLWIZDH-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-quinolin-6-yl-1,4-diazepane-2,5-dione
CID 64969768
3-propyl-1-pyridin-3-ylpiperazine-2,5-dione
CID 64956276
1-(4-bromo-3-methylphenyl)-3-propylpiperazine-2,5-dione
CID 64962234
3-ethyl-1-(quinolin-6-ylmethyl)piperazine-2,5-dione
CID 64880979
2-quinolin-6-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79922941
1-(3,5-dimethoxyphenyl)-3-propylpiperazine-2,5-dione
CID 64956816
1-(4-chloro-3-methoxyphenyl)-3-propylpiperazine-2,5-dione
CID 107623446
3-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine-2,5-dione
CID 82795304
1-(5-methyl-3-pyridinyl)-3-propylpiperazine-2,5-dione
CID 107587022
1-(1,3-benzothiazol-6-yl)-3-ethylpiperazine-2,5-dione
CID 107806702
(7S,9aR)-7-propyl-2-(quinolin-6-ylmethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56860265
1-(3,5-dichloro-4-fluorophenyl)-3-propylpiperazine-2,5-dione
CID 107580202

Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-quinolin-6-ylpiperazine-2,5-dione?
The IUPAC name of 3-propyl-1-quinolin-6-ylpiperazine-2,5-dione (CID 64969744) is 3-propyl-1-quinolin-6-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-propyl-1-quinolin-6-ylpiperazine-2,5-dione?
The canonical SMILES for 3-propyl-1-quinolin-6-ylpiperazine-2,5-dione is CCCC1NC(=O)CN(c2ccc3ncccc3c2)C1=O.
What is the InChIKey of 3-propyl-1-quinolin-6-ylpiperazine-2,5-dione?
The InChIKey is DQJBDYXBLWIZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-4-14-16(21)19(10-15(20)18-14)12-6-7-13-11(9-12)5-3-8-17-13/h3,5-9,14H,2,4,10H2,1H3,(H,18,20).
What are the key properties of 3-propyl-1-quinolin-6-ylpiperazine-2,5-dione?
3-propyl-1-quinolin-6-ylpiperazine-2,5-dione has a molecular weight of 283.33 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-quinolin-6-ylpiperazine-2,5-dione is sourced from PubChem (CID 64969744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).