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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Related Compounds

N-[5-[[(2S)-1-amino-4-cyclohexyl-1-oxobutan-2-yl]carbamoyl]-2-methylphenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 139030331
4-phenyl-N-[4-[propyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)amino]butyl]benzamide
CID 52937776
4-phenyl-N-[4-[propyl-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]amino]butyl]benzamide
CID 52937876
N-[4-methyl-3-[[3-(1-methylpyrazol-4-yl)benzoyl]amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 137654090
1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-[4-(1-methylpyrazol-4-yl)phenyl]ethane-1,2-dione
CID 44191530
2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-1H-quinolin-4-one
CID 67617039
N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-4-(2-methylpyrazol-3-yl)benzamide
CID 118408862
N-[2-methyl-2-(4-phenylpiperazin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide
CID 162654267
Cxd-101
CID 16225380
2-benzyl-N-(1-methyl-1H-pyrazol-4-yl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
CID 56761670
Hu7691 free base
CID 135274950
hCB1 Inhibitor, 2{1,1,6}
CID 57333119

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).