6-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methyl-1H-quinolin-2-one

C23H24FN3O2 — CID 110390110

IUPAC6-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methyl-1H-quinolin-2-one
SMILESCc1cc2cc(CCC(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2[nH]c1=O
InChIInChI=1S/C23H24FN3O2/c1-16-14-18-15-17(2-8-21(18)25-23(16)29)3-9-22(28)27-12-10-26(11-13-27)20-6-4-19(24)5-7-20/h2,4-8,14-15H,3,9-13H2,1H3,(H,25,29)
InChIKeyLBROXXBTIABAPK-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.26
Rot. Bonds4

About 6-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methyl-1H-quinolin-2-one

6-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methyl-1H-quinolin-2-one (PubChem CID 110390110) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 6-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methyl-1H-quinolin-2-one
PubChem CID110390110
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name6-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methyl-1H-quinolin-2-one
SMILESCc1cc2cc(CCC(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2[nH]c1=O
InChIInChI=1S/C23H24FN3O2/c1-16-14-18-15-17(2-8-21(18)25-23(16)29)3-9-22(28)27-12-10-26(11-13-27)20-6-4-19(24)5-7-20/h2,4-8,14-15H,3,9-13H2,1H3,(H,25,29)
InChIKeyLBROXXBTIABAPK-UHFFFAOYSA-N
XLogP3.26
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methyl-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
CID 110390077
3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 41448906
5-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one
CID 110390420
3-(3,4-dimethoxyphenyl)-1-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one
CID 113075310
N-cyclopropyl-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390059
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(4-methylphenyl)methylsulfanyl]propan-1-one
CID 4086403
3-[2-(diethylamino)-4-pyridinyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 53186164
1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one
CID 4161880
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-1-one
CID 3670051
5-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one
CID 110297793
ethyl 5-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]-1-benzofuran-2-carboxylate
CID 118710572
1-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 113075520

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methyl-1H-quinolin-2-one?
The IUPAC name of 6-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methyl-1H-quinolin-2-one (CID 110390110) is 6-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methyl-1H-quinolin-2-one.
What is the SMILES notation for 6-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methyl-1H-quinolin-2-one?
The canonical SMILES for 6-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methyl-1H-quinolin-2-one is Cc1cc2cc(CCC(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2[nH]c1=O.
What is the InChIKey of 6-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methyl-1H-quinolin-2-one?
The InChIKey is LBROXXBTIABAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-16-14-18-15-17(2-8-21(18)25-23(16)29)3-9-22(28)27-12-10-26(11-13-27)20-6-4-19(24)5-7-20/h2,4-8,14-15H,3,9-13H2,1H3,(H,25,29).
What are the key properties of 6-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methyl-1H-quinolin-2-one?
6-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methyl-1H-quinolin-2-one has a molecular weight of 393.46 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methyl-1H-quinolin-2-one is sourced from PubChem (CID 110390110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).