3-methyl-2-[4-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]phenyl]-1H-quinolin-4-one

C26H28N4O — CID 70687951

IUPAC3-methyl-2-[4-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]phenyl]-1H-quinolin-4-one
SMILESCc1c(-c2ccc(-c3cnn(CCN4CCCCC4)c3)cc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C26H28N4O/c1-19-25(28-24-8-4-3-7-23(24)26(19)31)21-11-9-20(10-12-21)22-17-27-30(18-22)16-15-29-13-5-2-6-14-29/h3-4,7-12,17-18H,2,5-6,13-16H2,1H3,(H,28,31)
InChIKeyJHPSWZZHCSPUFO-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.85
Rot. Bonds5

About 3-methyl-2-[4-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]phenyl]-1H-quinolin-4-one

3-methyl-2-[4-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]phenyl]-1H-quinolin-4-one (PubChem CID 70687951) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 3-methyl-2-[4-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]phenyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[4-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]phenyl]-1H-quinolin-4-one
PubChem CID70687951
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name3-methyl-2-[4-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]phenyl]-1H-quinolin-4-one
SMILESCc1c(-c2ccc(-c3cnn(CCN4CCCCC4)c3)cc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C26H28N4O/c1-19-25(28-24-8-4-3-7-23(24)26(19)31)21-11-9-20(10-12-21)22-17-27-30(18-22)16-15-29-13-5-2-6-14-29/h3-4,7-12,17-18H,2,5-6,13-16H2,1H3,(H,28,31)
InChIKeyJHPSWZZHCSPUFO-UHFFFAOYSA-N
XLogP4.85
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[4-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]phenyl]-1H-quinolin-4-one?
The IUPAC name of 3-methyl-2-[4-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]phenyl]-1H-quinolin-4-one (CID 70687951) is 3-methyl-2-[4-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]phenyl]-1H-quinolin-4-one.
What is the SMILES notation for 3-methyl-2-[4-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]phenyl]-1H-quinolin-4-one?
The canonical SMILES for 3-methyl-2-[4-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]phenyl]-1H-quinolin-4-one is Cc1c(-c2ccc(-c3cnn(CCN4CCCCC4)c3)cc2)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-methyl-2-[4-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]phenyl]-1H-quinolin-4-one?
The InChIKey is JHPSWZZHCSPUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c1-19-25(28-24-8-4-3-7-23(24)26(19)31)21-11-9-20(10-12-21)22-17-27-30(18-22)16-15-29-13-5-2-6-14-29/h3-4,7-12,17-18H,2,5-6,13-16H2,1H3,(H,28,31).
What are the key properties of 3-methyl-2-[4-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]phenyl]-1H-quinolin-4-one?
3-methyl-2-[4-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]phenyl]-1H-quinolin-4-one has a molecular weight of 412.54 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[4-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]phenyl]-1H-quinolin-4-one is sourced from PubChem (CID 70687951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).