3-ethyl-4-[4-(8-methylquinolin-5-yl)naphthalene-1-carbonyl]piperazin-2-one

C27H25N3O2 — CID 176502280

IUPAC3-ethyl-4-[4-(8-methylquinolin-5-yl)naphthalene-1-carbonyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1ccc(-c2ccc(C)c3ncccc23)c2ccccc12
InChIInChI=1S/C27H25N3O2/c1-3-24-26(31)29-15-16-30(24)27(32)23-13-12-20(18-7-4-5-8-19(18)23)21-11-10-17(2)25-22(21)9-6-14-28-25/h4-14,24H,3,15-16H2,1-2H3,(H,29,31)
InChIKeyLQHOCEKMTNMTDY-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.71
Rot. Bonds3

About 3-ethyl-4-[4-(8-methylquinolin-5-yl)naphthalene-1-carbonyl]piperazin-2-one

3-ethyl-4-[4-(8-methylquinolin-5-yl)naphthalene-1-carbonyl]piperazin-2-one (PubChem CID 176502280) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 3-ethyl-4-[4-(8-methylquinolin-5-yl)naphthalene-1-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[4-(8-methylquinolin-5-yl)naphthalene-1-carbonyl]piperazin-2-one
PubChem CID176502280
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name3-ethyl-4-[4-(8-methylquinolin-5-yl)naphthalene-1-carbonyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1ccc(-c2ccc(C)c3ncccc23)c2ccccc12
InChIInChI=1S/C27H25N3O2/c1-3-24-26(31)29-15-16-30(24)27(32)23-13-12-20(18-7-4-5-8-19(18)23)21-11-10-17(2)25-22(21)9-6-14-28-25/h4-14,24H,3,15-16H2,1-2H3,(H,29,31)
InChIKeyLQHOCEKMTNMTDY-UHFFFAOYSA-N
XLogP4.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
3-ethyl-4-[4-(2-fluoro-4-methoxyphenyl)naphthalene-1-carbonyl]piperazin-2-one
CID 172655604
3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one
CID 63604913
4-(2,4-dibromobenzoyl)-3-ethylpiperazin-2-one
CID 103882803
(3R)-3-ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one
CID 1382904
3-ethyl-4-(2-methyl-5-nitrobenzoyl)piperazin-2-one
CID 63602604
4-[2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carbonyl]-3-ethylpiperazin-2-one
CID 46977179
4-(2,5-dimethylthiophene-3-carbonyl)-3-ethylpiperazin-2-one
CID 63601701
3-ethyl-4-[2-(2-methylphenyl)acetyl]piperazin-2-one
CID 63601493
4-(2-amino-6-methylbenzoyl)-3-ethylpiperazin-2-one
CID 63601793
pentyl 2-[1-(2-methylbenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17073625
3-ethyl-4-[2-(1-methylpyrazol-3-yl)quinoline-4-carbonyl]piperazin-2-one
CID 46977240

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[4-(8-methylquinolin-5-yl)naphthalene-1-carbonyl]piperazin-2-one?
The IUPAC name of 3-ethyl-4-[4-(8-methylquinolin-5-yl)naphthalene-1-carbonyl]piperazin-2-one (CID 176502280) is 3-ethyl-4-[4-(8-methylquinolin-5-yl)naphthalene-1-carbonyl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-[4-(8-methylquinolin-5-yl)naphthalene-1-carbonyl]piperazin-2-one?
The canonical SMILES for 3-ethyl-4-[4-(8-methylquinolin-5-yl)naphthalene-1-carbonyl]piperazin-2-one is CCC1C(=O)NCCN1C(=O)c1ccc(-c2ccc(C)c3ncccc23)c2ccccc12.
What is the InChIKey of 3-ethyl-4-[4-(8-methylquinolin-5-yl)naphthalene-1-carbonyl]piperazin-2-one?
The InChIKey is LQHOCEKMTNMTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-3-24-26(31)29-15-16-30(24)27(32)23-13-12-20(18-7-4-5-8-19(18)23)21-11-10-17(2)25-22(21)9-6-14-28-25/h4-14,24H,3,15-16H2,1-2H3,(H,29,31).
What are the key properties of 3-ethyl-4-[4-(8-methylquinolin-5-yl)naphthalene-1-carbonyl]piperazin-2-one?
3-ethyl-4-[4-(8-methylquinolin-5-yl)naphthalene-1-carbonyl]piperazin-2-one has a molecular weight of 423.52 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[4-(8-methylquinolin-5-yl)naphthalene-1-carbonyl]piperazin-2-one is sourced from PubChem (CID 176502280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).