6,8-dimethyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one

C20H26N2O2 — CID 110331580

IUPAC6,8-dimethyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
SMILESCc1cc(C)c2[nH]c(=O)c(CCC(=O)N3CCCC(C)C3)cc2c1
InChIInChI=1S/C20H26N2O2/c1-13-5-4-8-22(12-13)18(23)7-6-16-11-17-10-14(2)9-15(3)19(17)21-20(16)24/h9-11,13H,4-8,12H2,1-3H3,(H,21,24)
InChIKeyDPYZDNLNOLUJEE-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.34
Rot. Bonds3

About 6,8-dimethyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one

6,8-dimethyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one (PubChem CID 110331580) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 6,8-dimethyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6,8-dimethyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
PubChem CID110331580
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name6,8-dimethyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
SMILESCc1cc(C)c2[nH]c(=O)c(CCC(=O)N3CCCC(C)C3)cc2c1
InChIInChI=1S/C20H26N2O2/c1-13-5-4-8-22(12-13)18(23)7-6-16-11-17-10-14(2)9-15(3)19(17)21-20(16)24/h9-11,13H,4-8,12H2,1-3H3,(H,21,24)
InChIKeyDPYZDNLNOLUJEE-UHFFFAOYSA-N
XLogP3.34
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,8-dimethyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one with MolForge

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Related Compounds

4-[3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde
CID 110331540
N-cyclopentyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331527
N-tert-butyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331576
5,7-dimethyl-3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one
CID 110331696
3-[[(3S,8aS)-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 137336127
N-cyclopentyl-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 856997
7-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-quinolin-2-one
CID 53174869
8-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
CID 110331072
3-[[(4S)-4-(dimethylamino)azepan-1-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 95711780
3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 56717632
2,4-dimethyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 135933971
4,6-dimethyl-5-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 41143827

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one?
The IUPAC name of 6,8-dimethyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one (CID 110331580) is 6,8-dimethyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one.
What is the SMILES notation for 6,8-dimethyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one?
The canonical SMILES for 6,8-dimethyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one is Cc1cc(C)c2[nH]c(=O)c(CCC(=O)N3CCCC(C)C3)cc2c1.
What is the InChIKey of 6,8-dimethyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one?
The InChIKey is DPYZDNLNOLUJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-13-5-4-8-22(12-13)18(23)7-6-16-11-17-10-14(2)9-15(3)19(17)21-20(16)24/h9-11,13H,4-8,12H2,1-3H3,(H,21,24).
What are the key properties of 6,8-dimethyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one?
6,8-dimethyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one has a molecular weight of 326.44 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one is sourced from PubChem (CID 110331580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).