5,7-dimethyl-3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one

C19H24N2O2 — CID 110331696

IUPAC5,7-dimethyl-3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one
SMILESCc1cc(C)c2cc(CCC(=O)N3CCCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C19H24N2O2/c1-13-10-14(2)16-12-15(19(23)20-17(16)11-13)6-7-18(22)21-8-4-3-5-9-21/h10-12H,3-9H2,1-2H3,(H,20,23)
InChIKeyQMQGCUSMOFWDQL-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.09
Rot. Bonds3

About 5,7-dimethyl-3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one

5,7-dimethyl-3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one (PubChem CID 110331696) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 5,7-dimethyl-3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name5,7-dimethyl-3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one
PubChem CID110331696
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name5,7-dimethyl-3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one
SMILESCc1cc(C)c2cc(CCC(=O)N3CCCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C19H24N2O2/c1-13-10-14(2)16-12-15(19(23)20-17(16)11-13)6-7-18(22)21-8-4-3-5-9-21/h10-12H,3-9H2,1-2H3,(H,20,23)
InChIKeyQMQGCUSMOFWDQL-UHFFFAOYSA-N
XLogP3.09
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate
CID 110331739
5,7-dimethyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one
CID 110331741
7-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-quinolin-2-one
CID 53174869
6,8-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinolin-2-one
CID 110331533
1-cyclohexyl-3-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]urea
CID 110326400
6,8-dimethyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
CID 110331580
3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-phenylethyl)propanamide
CID 110331725
4-[3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde
CID 110331540
3-acetamido-N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110415464
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-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1H-quinolin-2-one
CID 53174689

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one?
The IUPAC name of 5,7-dimethyl-3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one (CID 110331696) is 5,7-dimethyl-3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one.
What is the SMILES notation for 5,7-dimethyl-3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one?
The canonical SMILES for 5,7-dimethyl-3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one is Cc1cc(C)c2cc(CCC(=O)N3CCCCC3)c(=O)[nH]c2c1.
What is the InChIKey of 5,7-dimethyl-3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one?
The InChIKey is QMQGCUSMOFWDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13-10-14(2)16-12-15(19(23)20-17(16)11-13)6-7-18(22)21-8-4-3-5-9-21/h10-12H,3-9H2,1-2H3,(H,20,23).
What are the key properties of 5,7-dimethyl-3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one?
5,7-dimethyl-3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one has a molecular weight of 312.41 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one is sourced from PubChem (CID 110331696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).