6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one

C21H26N4O2 — CID 121305371

IUPAC6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCC(=O)N1CCC(Cc2cn[nH]c2-c2ccc3c(c2)CCC(=O)N3C)CC1
InChIInChI=1S/C21H26N4O2/c1-14(26)25-9-7-15(8-10-25)11-18-13-22-23-21(18)17-3-5-19-16(12-17)4-6-20(27)24(19)2/h3,5,12-13,15H,4,6-11H2,1-2H3,(H,22,23)
InChIKeyBUSUMBOLRYXBJC-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.79
Rot. Bonds3

About 6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one

6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 121305371) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID121305371
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCC(=O)N1CCC(Cc2cn[nH]c2-c2ccc3c(c2)CCC(=O)N3C)CC1
InChIInChI=1S/C21H26N4O2/c1-14(26)25-9-7-15(8-10-25)11-18-13-22-23-21(18)17-3-5-19-16(12-17)4-6-20(27)24(19)2/h3,5,12-13,15H,4,6-11H2,1-2H3,(H,22,23)
InChIKeyBUSUMBOLRYXBJC-UHFFFAOYSA-N
XLogP2.79
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile
CID 135124681
2-[(7-methyl-1H-indazol-5-yl)methyl]-4-[4-(2-oxo-1H-quinolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,4-dione
CID 70681270
N-hydroxy-4-[[6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide
CID 164621314
2-[(7-methyl-1H-indazol-5-yl)methyl]-1-(4-methylpiperidin-1-yl)-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]butane-1,4-dione
CID 21102037
2-[(7-methyl-1H-indazol-5-yl)methyl]-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-piperidin-1-ylbutane-1,4-dione
CID 21102038
(4-(1H-pyrazol-3-yl)piperidin-1-yl)(3,4-dihydroquinolin-1(2H)-yl)methanone
CID 54581343
1-[4-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]piperazin-1-yl]-2-phenylethanone
CID 117671051
6-[4-[(1-Acetyl-4-piperidyl)methyl]-1H-pyrazol-3-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 121305398
5-fluoro-1-methyl-6-[4-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
CID 121305407
(rac)-6-[4-[1-(1-Acetylpiperidin-4-yl)ethyl]-1H-pyrazol-3-yl]-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 121305412
(rac)-6-[4-[1-(1-Acetylpiperidin-4-yl)ethyl]-1H-pyrazol-3-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 121305425
6-[4-[(1-ethylsulfonylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 121305447

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one (CID 121305371) is 6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one is CC(=O)N1CCC(Cc2cn[nH]c2-c2ccc3c(c2)CCC(=O)N3C)CC1.
What is the InChIKey of 6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is BUSUMBOLRYXBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14(26)25-9-7-15(8-10-25)11-18-13-22-23-21(18)17-3-5-19-16(12-17)4-6-20(27)24(19)2/h3,5,12-13,15H,4,6-11H2,1-2H3,(H,22,23).
What are the key properties of 6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one?
6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 366.47 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 121305371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).