6-methoxy-2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one

C18H24N2O2 — CID 730796

IUPAC6-methoxy-2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one
SMILESCOc1ccc2[nH]c(C)c(CN3CCC(C)CC3)c(=O)c2c1
InChIInChI=1S/C18H24N2O2/c1-12-6-8-20(9-7-12)11-16-13(2)19-17-5-4-14(22-3)10-15(17)18(16)21/h4-5,10,12H,6-9,11H2,1-3H3,(H,19,21)
InChIKeyIXKMEAVFDWIZDA-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.08
Rot. Bonds3

About 6-methoxy-2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one

6-methoxy-2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one (PubChem CID 730796) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 6-methoxy-2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-methoxy-2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one
PubChem CID730796
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name6-methoxy-2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one
SMILESCOc1ccc2[nH]c(C)c(CN3CCC(C)CC3)c(=O)c2c1
InChIInChI=1S/C18H24N2O2/c1-12-6-8-20(9-7-12)11-16-13(2)19-17-5-4-14(22-3)10-15(17)18(16)21/h4-5,10,12H,6-9,11H2,1-3H3,(H,19,21)
InChIKeyIXKMEAVFDWIZDA-UHFFFAOYSA-N
XLogP3.08
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one?
The IUPAC name of 6-methoxy-2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one (CID 730796) is 6-methoxy-2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-methoxy-2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one?
The canonical SMILES for 6-methoxy-2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one is COc1ccc2[nH]c(C)c(CN3CCC(C)CC3)c(=O)c2c1.
What is the InChIKey of 6-methoxy-2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one?
The InChIKey is IXKMEAVFDWIZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12-6-8-20(9-7-12)11-16-13(2)19-17-5-4-14(22-3)10-15(17)18(16)21/h4-5,10,12H,6-9,11H2,1-3H3,(H,19,21).
What are the key properties of 6-methoxy-2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one?
6-methoxy-2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one has a molecular weight of 300.40 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one is sourced from PubChem (CID 730796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).