6-methyl-3-(piperidin-4-ylmethyl)-1H-quinolin-2-one

C16H20N2O — CID 84635994

IUPAC6-methyl-3-(piperidin-4-ylmethyl)-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CC3CCNCC3)cc2c1
InChIInChI=1S/C16H20N2O/c1-11-2-3-15-13(8-11)10-14(16(19)18-15)9-12-4-6-17-7-5-12/h2-3,8,10,12,17H,4-7,9H2,1H3,(H,18,19)
InChIKeyCFQOZCJZZWRGGF-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.38
Rot. Bonds2

About 6-methyl-3-(piperidin-4-ylmethyl)-1H-quinolin-2-one

6-methyl-3-(piperidin-4-ylmethyl)-1H-quinolin-2-one (PubChem CID 84635994) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-methyl-3-(piperidin-4-ylmethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methyl-3-(piperidin-4-ylmethyl)-1H-quinolin-2-one
PubChem CID84635994
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name6-methyl-3-(piperidin-4-ylmethyl)-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CC3CCNCC3)cc2c1
InChIInChI=1S/C16H20N2O/c1-11-2-3-15-13(8-11)10-14(16(19)18-15)9-12-4-6-17-7-5-12/h2-3,8,10,12,17H,4-7,9H2,1H3,(H,18,19)
InChIKeyCFQOZCJZZWRGGF-UHFFFAOYSA-N
XLogP2.38
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(piperidin-4-ylmethyl)-1H-quinolin-2-one?
The IUPAC name of 6-methyl-3-(piperidin-4-ylmethyl)-1H-quinolin-2-one (CID 84635994) is 6-methyl-3-(piperidin-4-ylmethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-methyl-3-(piperidin-4-ylmethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-methyl-3-(piperidin-4-ylmethyl)-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(CC3CCNCC3)cc2c1.
What is the InChIKey of 6-methyl-3-(piperidin-4-ylmethyl)-1H-quinolin-2-one?
The InChIKey is CFQOZCJZZWRGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-2-3-15-13(8-11)10-14(16(19)18-15)9-12-4-6-17-7-5-12/h2-3,8,10,12,17H,4-7,9H2,1H3,(H,18,19).
What are the key properties of 6-methyl-3-(piperidin-4-ylmethyl)-1H-quinolin-2-one?
6-methyl-3-(piperidin-4-ylmethyl)-1H-quinolin-2-one has a molecular weight of 256.35 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(piperidin-4-ylmethyl)-1H-quinolin-2-one is sourced from PubChem (CID 84635994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).