methyl 2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate

C19H24N2O3 — CID 730962

IUPACmethyl 2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2[nH]c(C)c(CN3CCC(C)CC3)c(=O)c2c1
InChIInChI=1S/C19H24N2O3/c1-12-6-8-21(9-7-12)11-16-13(2)20-17-5-4-14(19(23)24-3)10-15(17)18(16)22/h4-5,10,12H,6-9,11H2,1-3H3,(H,20,22)
InChIKeyQJYKFVXMYOIKAL-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.86
Rot. Bonds3

About methyl 2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate

methyl 2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate (PubChem CID 730962) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is methyl 2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate
PubChem CID730962
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Namemethyl 2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2[nH]c(C)c(CN3CCC(C)CC3)c(=O)c2c1
InChIInChI=1S/C19H24N2O3/c1-12-6-8-21(9-7-12)11-16-13(2)20-17-5-4-14(19(23)24-3)10-15(17)18(16)22/h4-5,10,12H,6-9,11H2,1-3H3,(H,20,22)
InChIKeyQJYKFVXMYOIKAL-UHFFFAOYSA-N
XLogP2.86
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate?
The IUPAC name of methyl 2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate (CID 730962) is methyl 2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate.
What is the SMILES notation for methyl 2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate?
The canonical SMILES for methyl 2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate is COC(=O)c1ccc2[nH]c(C)c(CN3CCC(C)CC3)c(=O)c2c1.
What is the InChIKey of methyl 2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate?
The InChIKey is QJYKFVXMYOIKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-12-6-8-21(9-7-12)11-16-13(2)20-17-5-4-14(19(23)24-3)10-15(17)18(16)22/h4-5,10,12H,6-9,11H2,1-3H3,(H,20,22).
What are the key properties of methyl 2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate?
methyl 2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate has a molecular weight of 328.41 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate is sourced from PubChem (CID 730962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).