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

C21H22N2O2 — CID 56670186

IUPAC2-(3-hydroxyphenyl)-3-methyl-6-piperidin-1-yl-1H-quinolin-4-one
SMILESCc1c(-c2cccc(O)c2)[nH]c2ccc(N3CCCCC3)cc2c1=O
InChIInChI=1S/C21H22N2O2/c1-14-20(15-6-5-7-17(24)12-15)22-19-9-8-16(13-18(19)21(14)25)23-10-3-2-4-11-23/h5-9,12-13,24H,2-4,10-11H2,1H3,(H,22,25)
InChIKeyWNMCWOLEGMOIKD-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.20
Rot. Bonds2

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

2-(3-hydroxyphenyl)-3-methyl-6-piperidin-1-yl-1H-quinolin-4-one (PubChem CID 56670186) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-3-methyl-6-piperidin-1-yl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-3-methyl-6-piperidin-1-yl-1H-quinolin-4-one
PubChem CID56670186
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2-(3-hydroxyphenyl)-3-methyl-6-piperidin-1-yl-1H-quinolin-4-one
SMILESCc1c(-c2cccc(O)c2)[nH]c2ccc(N3CCCCC3)cc2c1=O
InChIInChI=1S/C21H22N2O2/c1-14-20(15-6-5-7-17(24)12-15)22-19-9-8-16(13-18(19)21(14)25)23-10-3-2-4-11-23/h5-9,12-13,24H,2-4,10-11H2,1H3,(H,22,25)
InChIKeyWNMCWOLEGMOIKD-UHFFFAOYSA-N
XLogP4.20
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-3-methyl-6-piperidin-1-yl-1H-quinolin-4-one?
The IUPAC name of 2-(3-hydroxyphenyl)-3-methyl-6-piperidin-1-yl-1H-quinolin-4-one (CID 56670186) is 2-(3-hydroxyphenyl)-3-methyl-6-piperidin-1-yl-1H-quinolin-4-one.
What is the SMILES notation for 2-(3-hydroxyphenyl)-3-methyl-6-piperidin-1-yl-1H-quinolin-4-one?
The canonical SMILES for 2-(3-hydroxyphenyl)-3-methyl-6-piperidin-1-yl-1H-quinolin-4-one is Cc1c(-c2cccc(O)c2)[nH]c2ccc(N3CCCCC3)cc2c1=O.
What is the InChIKey of 2-(3-hydroxyphenyl)-3-methyl-6-piperidin-1-yl-1H-quinolin-4-one?
The InChIKey is WNMCWOLEGMOIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-14-20(15-6-5-7-17(24)12-15)22-19-9-8-16(13-18(19)21(14)25)23-10-3-2-4-11-23/h5-9,12-13,24H,2-4,10-11H2,1H3,(H,22,25).
What are the key properties of 2-(3-hydroxyphenyl)-3-methyl-6-piperidin-1-yl-1H-quinolin-4-one?
2-(3-hydroxyphenyl)-3-methyl-6-piperidin-1-yl-1H-quinolin-4-one has a molecular weight of 334.42 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-3-methyl-6-piperidin-1-yl-1H-quinolin-4-one is sourced from PubChem (CID 56670186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).