3-ethyl-4-(2,3,6-trimethylquinoline-4-carbonyl)piperazin-2-one

C19H23N3O2 — CID 72903841

IUPAC3-ethyl-4-(2,3,6-trimethylquinoline-4-carbonyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1c(C)c(C)nc2ccc(C)cc12
InChIInChI=1S/C19H23N3O2/c1-5-16-18(23)20-8-9-22(16)19(24)17-12(3)13(4)21-15-7-6-11(2)10-14(15)17/h6-7,10,16H,5,8-9H2,1-4H3,(H,20,23)
InChIKeyBRTKAGVHEXUSOM-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.51
Rot. Bonds2

About 3-ethyl-4-(2,3,6-trimethylquinoline-4-carbonyl)piperazin-2-one

3-ethyl-4-(2,3,6-trimethylquinoline-4-carbonyl)piperazin-2-one (PubChem CID 72903841) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-ethyl-4-(2,3,6-trimethylquinoline-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(2,3,6-trimethylquinoline-4-carbonyl)piperazin-2-one
PubChem CID72903841
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-ethyl-4-(2,3,6-trimethylquinoline-4-carbonyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1c(C)c(C)nc2ccc(C)cc12
InChIInChI=1S/C19H23N3O2/c1-5-16-18(23)20-8-9-22(16)19(24)17-12(3)13(4)21-15-7-6-11(2)10-14(15)17/h6-7,10,16H,5,8-9H2,1-4H3,(H,20,23)
InChIKeyBRTKAGVHEXUSOM-UHFFFAOYSA-N
XLogP2.51
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(2,3,6-trimethylquinoline-4-carbonyl)piperazin-2-one?
The IUPAC name of 3-ethyl-4-(2,3,6-trimethylquinoline-4-carbonyl)piperazin-2-one (CID 72903841) is 3-ethyl-4-(2,3,6-trimethylquinoline-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-(2,3,6-trimethylquinoline-4-carbonyl)piperazin-2-one?
The canonical SMILES for 3-ethyl-4-(2,3,6-trimethylquinoline-4-carbonyl)piperazin-2-one is CCC1C(=O)NCCN1C(=O)c1c(C)c(C)nc2ccc(C)cc12.
What is the InChIKey of 3-ethyl-4-(2,3,6-trimethylquinoline-4-carbonyl)piperazin-2-one?
The InChIKey is BRTKAGVHEXUSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-5-16-18(23)20-8-9-22(16)19(24)17-12(3)13(4)21-15-7-6-11(2)10-14(15)17/h6-7,10,16H,5,8-9H2,1-4H3,(H,20,23).
What are the key properties of 3-ethyl-4-(2,3,6-trimethylquinoline-4-carbonyl)piperazin-2-one?
3-ethyl-4-(2,3,6-trimethylquinoline-4-carbonyl)piperazin-2-one has a molecular weight of 325.41 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(2,3,6-trimethylquinoline-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 72903841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).