6-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one

C21H29N3O3 — CID 110801831

IUPAC6-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCCC(CC)C(=O)N1CCN(C(=O)Cc2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C21H29N3O3/c1-3-16(4-2)21(27)24-11-9-23(10-12-24)20(26)14-15-5-7-18-17(13-15)6-8-19(25)22-18/h5,7,13,16H,3-4,6,8-12,14H2,1-2H3,(H,22,25)
InChIKeyKIPXQDXYZKWZLN-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.22
Rot. Bonds5

About 6-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one

6-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 110801831) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 6-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID110801831
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name6-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCCC(CC)C(=O)N1CCN(C(=O)Cc2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C21H29N3O3/c1-3-16(4-2)21(27)24-11-9-23(10-12-24)20(26)14-15-5-7-18-17(13-15)6-8-19(25)22-18/h5,7,13,16H,3-4,6,8-12,14H2,1-2H3,(H,22,25)
InChIKeyKIPXQDXYZKWZLN-UHFFFAOYSA-N
XLogP2.22
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one
CID 167974950
6-[2-oxo-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 167776309
5-(2-oxo-2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one
CID 82301093
5-[2-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
CID 110806965
4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 110812997
4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]piperazine-1-carbaldehyde
CID 110768084
6-(4-propanoylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 110817203
6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 110800015
5-[2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
CID 110807421
6-(3-aminopentyl)-3,4-dihydro-1H-quinolin-2-one
CID 82475336
3,3-dimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-indol-2-one
CID 110770924
6-[[4-(azepan-1-yl)-4-oxobutan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 75472339

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one (CID 110801831) is 6-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one is CCC(CC)C(=O)N1CCN(C(=O)Cc2ccc3c(c2)CCC(=O)N3)CC1.
What is the InChIKey of 6-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KIPXQDXYZKWZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-3-16(4-2)21(27)24-11-9-23(10-12-24)20(26)14-15-5-7-18-17(13-15)6-8-19(25)22-18/h5,7,13,16H,3-4,6,8-12,14H2,1-2H3,(H,22,25).
What are the key properties of 6-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 371.48 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 110801831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).