1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-methylquinolin-2-one

C19H23N3O3 — CID 110680239

IUPAC1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-methylquinolin-2-one
SMILESCC(=O)N1CCN(C(=O)CCn2c(=O)c(C)cc3ccccc32)CC1
InChIInChI=1S/C19H23N3O3/c1-14-13-16-5-3-4-6-17(16)22(19(14)25)8-7-18(24)21-11-9-20(10-12-21)15(2)23/h3-6,13H,7-12H2,1-2H3
InChIKeyFAMUPQPKOCCDIE-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.39
Rot. Bonds3

About 1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-methylquinolin-2-one

1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-methylquinolin-2-one (PubChem CID 110680239) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-methylquinolin-2-one.

Molecular Properties

Compound Name1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-methylquinolin-2-one
PubChem CID110680239
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-methylquinolin-2-one
SMILESCC(=O)N1CCN(C(=O)CCn2c(=O)c(C)cc3ccccc32)CC1
InChIInChI=1S/C19H23N3O3/c1-14-13-16-5-3-4-6-17(16)22(19(14)25)8-7-18(24)21-11-9-20(10-12-21)15(2)23/h3-6,13H,7-12H2,1-2H3
InChIKeyFAMUPQPKOCCDIE-UHFFFAOYSA-N
XLogP1.39
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinolin-2-one
CID 110680227
N-(2-acetamidoethyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680262
N,N-diethyl-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680260
N-[2-(dimethylamino)ethyl]-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680233
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2-methylindol-1-yl)propan-1-one
CID 46986943
3-(3-methyl-2-oxoquinolin-1-yl)-N-pyrimidin-2-ylpropanamide
CID 110680287
N-(3-acetylphenyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680283
ethane;1-ethyl-3-methylquinolin-2-one
CID 142177817
1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one
CID 46324543
3-methyl-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-one
CID 46324411
N-(3,4-difluorophenyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680300
3,6,7-trimethyl-1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]quinoxalin-2-one
CID 46324538

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-methylquinolin-2-one?
The IUPAC name of 1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-methylquinolin-2-one (CID 110680239) is 1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-methylquinolin-2-one.
What is the SMILES notation for 1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-methylquinolin-2-one?
The canonical SMILES for 1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-methylquinolin-2-one is CC(=O)N1CCN(C(=O)CCn2c(=O)c(C)cc3ccccc32)CC1.
What is the InChIKey of 1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-methylquinolin-2-one?
The InChIKey is FAMUPQPKOCCDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-13-16-5-3-4-6-17(16)22(19(14)25)8-7-18(24)21-11-9-20(10-12-21)15(2)23/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-methylquinolin-2-one?
1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-methylquinolin-2-one has a molecular weight of 341.41 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-methylquinolin-2-one is sourced from PubChem (CID 110680239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).