3-methyl-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinolin-2-one

C19H24N2O2 — CID 110680227

IUPAC3-methyl-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinolin-2-one
SMILESCc1cc2ccccc2n(CCC(=O)N2CCC(C)CC2)c1=O
InChIInChI=1S/C19H24N2O2/c1-14-7-10-20(11-8-14)18(22)9-12-21-17-6-4-3-5-16(17)13-15(2)19(21)23/h3-6,13-14H,7-12H2,1-2H3
InChIKeyZUMFXHDWEIVODK-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.96
Rot. Bonds3

About 3-methyl-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinolin-2-one

3-methyl-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinolin-2-one (PubChem CID 110680227) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-methyl-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinolin-2-one.

Molecular Properties

Compound Name3-methyl-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinolin-2-one
PubChem CID110680227
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-methyl-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinolin-2-one
SMILESCc1cc2ccccc2n(CCC(=O)N2CCC(C)CC2)c1=O
InChIInChI=1S/C19H24N2O2/c1-14-7-10-20(11-8-14)18(22)9-12-21-17-6-4-3-5-16(17)13-15(2)19(21)23/h3-6,13-14H,7-12H2,1-2H3
InChIKeyZUMFXHDWEIVODK-UHFFFAOYSA-N
XLogP2.96
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-methylquinolin-2-one
CID 110680239
1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one
CID 91951447
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2-methylindol-1-yl)propan-1-one
CID 46986943
N,N-diethyl-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680260
3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 51210911
N-[2-(dimethylamino)ethyl]-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680233
1-(4-methylpiperidin-1-yl)-2-(2-thiophen-2-ylindol-1-yl)ethanone
CID 53032510
N-(2-acetamidoethyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680262
N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110741001
3-(3-methyl-2-oxoquinolin-1-yl)-N-pyrimidin-2-ylpropanamide
CID 110680287
4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1,4-benzothiazin-3-one
CID 42786230
ethane;1-ethyl-3-methylquinolin-2-one
CID 142177817

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinolin-2-one?
The IUPAC name of 3-methyl-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinolin-2-one (CID 110680227) is 3-methyl-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinolin-2-one.
What is the SMILES notation for 3-methyl-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinolin-2-one?
The canonical SMILES for 3-methyl-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinolin-2-one is Cc1cc2ccccc2n(CCC(=O)N2CCC(C)CC2)c1=O.
What is the InChIKey of 3-methyl-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinolin-2-one?
The InChIKey is ZUMFXHDWEIVODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14-7-10-20(11-8-14)18(22)9-12-21-17-6-4-3-5-16(17)13-15(2)19(21)23/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of 3-methyl-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinolin-2-one?
3-methyl-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinolin-2-one has a molecular weight of 312.41 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinolin-2-one is sourced from PubChem (CID 110680227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).