3-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1H-quinolin-2-one

C23H25N3O2 — CID 110330988

IUPAC3-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1H-quinolin-2-one
SMILESCc1cccc(N2CCN(C(=O)CCc3cc4ccccc4[nH]c3=O)CC2)c1
InChIInChI=1S/C23H25N3O2/c1-17-5-4-7-20(15-17)25-11-13-26(14-12-25)22(27)10-9-19-16-18-6-2-3-8-21(18)24-23(19)28/h2-8,15-16H,9-14H2,1H3,(H,24,28)
InChIKeyNMIGOTIVYXHYQJ-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.12
Rot. Bonds4

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

3-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1H-quinolin-2-one (PubChem CID 110330988) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1H-quinolin-2-one
PubChem CID110330988
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name3-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1H-quinolin-2-one
SMILESCc1cccc(N2CCN(C(=O)CCc3cc4ccccc4[nH]c3=O)CC2)c1
InChIInChI=1S/C23H25N3O2/c1-17-5-4-7-20(15-17)25-11-13-26(14-12-25)22(27)10-9-19-16-18-6-2-3-8-21(18)24-23(19)28/h2-8,15-16H,9-14H2,1H3,(H,24,28)
InChIKeyNMIGOTIVYXHYQJ-UHFFFAOYSA-N
XLogP3.12
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-quinolin-2-one
CID 53174869
4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde
CID 110331208
3-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1H-quinolin-2-one
CID 53174689
4-(1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one
CID 27040696
7-methyl-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]-1H-quinolin-2-one
CID 53174829
3-[3-[4-(2,2-dimethylpropyl)piperazin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one
CID 110629324
3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 127121714
4-[4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanoate
CID 6950012
3-[3-oxo-3-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)propyl]-1H-quinolin-2-one
CID 110355057
8-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
CID 110331072
1-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
CID 25398527
1-[4-(3-methylphenyl)piperazin-1-yl]-3-(1-methylpyrrol-2-yl)propan-1-one
CID 110700701

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1H-quinolin-2-one?
The IUPAC name of 3-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1H-quinolin-2-one (CID 110330988) is 3-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1H-quinolin-2-one is Cc1cccc(N2CCN(C(=O)CCc3cc4ccccc4[nH]c3=O)CC2)c1.
What is the InChIKey of 3-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1H-quinolin-2-one?
The InChIKey is NMIGOTIVYXHYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17-5-4-7-20(15-17)25-11-13-26(14-12-25)22(27)10-9-19-16-18-6-2-3-8-21(18)24-23(19)28/h2-8,15-16H,9-14H2,1H3,(H,24,28).
What are the key properties of 3-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1H-quinolin-2-one?
3-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1H-quinolin-2-one has a molecular weight of 375.47 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1H-quinolin-2-one is sourced from PubChem (CID 110330988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).