6-[4-[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)methyl]-1H-pyrazol-5-yl]-5-chloro-1-methyl-3,4-dihydroquinolin-2-one

C22H25ClN4O2 — CID 121305449

IUPAC6-[4-[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)methyl]-1H-pyrazol-5-yl]-5-chloro-1-methyl-3,4-dihydroquinolin-2-one
SMILESCC(=O)N1CC2(CC(Cc3cn[nH]c3-c3ccc4c(c3Cl)CCC(=O)N4C)C2)C1
InChIInChI=1S/C22H25ClN4O2/c1-13(28)27-11-22(12-27)8-14(9-22)7-15-10-24-25-21(15)17-3-5-18-16(20(17)23)4-6-19(29)26(18)2/h3,5,10,14H,4,6-9,11-12H2,1-2H3,(H,24,25)
InChIKeyQMSCSUFQMDPHNF-UHFFFAOYSA-N
MW412.92 g/mol
LogP3.44
Rot. Bonds3

About 6-[4-[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)methyl]-1H-pyrazol-5-yl]-5-chloro-1-methyl-3,4-dihydroquinolin-2-one

6-[4-[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)methyl]-1H-pyrazol-5-yl]-5-chloro-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 121305449) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is 6-[4-[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)methyl]-1H-pyrazol-5-yl]-5-chloro-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[4-[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)methyl]-1H-pyrazol-5-yl]-5-chloro-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID121305449
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name6-[4-[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)methyl]-1H-pyrazol-5-yl]-5-chloro-1-methyl-3,4-dihydroquinolin-2-one
SMILESCC(=O)N1CC2(CC(Cc3cn[nH]c3-c3ccc4c(c3Cl)CCC(=O)N4C)C2)C1
InChIInChI=1S/C22H25ClN4O2/c1-13(28)27-11-22(12-27)8-14(9-22)7-15-10-24-25-21(15)17-3-5-18-16(20(17)23)4-6-19(29)26(18)2/h3,5,10,14H,4,6-9,11-12H2,1-2H3,(H,24,25)
InChIKeyQMSCSUFQMDPHNF-UHFFFAOYSA-N
XLogP3.44
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[4-[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)methyl]-1H-pyrazol-5-yl]-5-chloro-1-methyl-3,4-dihydroquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-[(1-Acetyl-4-piperidyl)methyl]-1H-pyrazol-3-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 121305398
(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
5-Chloro-6-[4-[(2-ethylsulfonyl-2-azaspiro[3.3]heptan-6-yl)methyl]-1H-pyrazol-3-yl]-1-methyl-3,4-dihydroquinolin-2-one
CID 121305415
5-Chloro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-carbonyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-3-yl]-3,4-dihydroquinolin-2-one
CID 121305454
6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 121305424
6-[4-[(1R)-1-(1-acetylpiperidin-4-yl)ethyl]-1H-pyrazol-5-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 121314237
6-[4-[(1S)-1-(1-acetylpiperidin-4-yl)ethyl]-1H-pyrazol-5-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 121314244
5-fluoro-1-methyl-6-[4-[(1R)-1-(1-prop-1-en-2-ylpiperidin-4-yl)ethyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
CID 130303914
5-fluoro-1-methyl-6-[4-[(1S)-1-(1-prop-1-en-2-ylpiperidin-4-yl)ethyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
CID 130303915
6-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-1-(2-methylpropyl)-3,4-dihydroquinolin-2-one
CID 117673460
6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one
CID 121305371

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)methyl]-1H-pyrazol-5-yl]-5-chloro-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[4-[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)methyl]-1H-pyrazol-5-yl]-5-chloro-1-methyl-3,4-dihydroquinolin-2-one (CID 121305449) is 6-[4-[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)methyl]-1H-pyrazol-5-yl]-5-chloro-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[4-[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)methyl]-1H-pyrazol-5-yl]-5-chloro-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[4-[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)methyl]-1H-pyrazol-5-yl]-5-chloro-1-methyl-3,4-dihydroquinolin-2-one is CC(=O)N1CC2(CC(Cc3cn[nH]c3-c3ccc4c(c3Cl)CCC(=O)N4C)C2)C1.
What is the InChIKey of 6-[4-[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)methyl]-1H-pyrazol-5-yl]-5-chloro-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is QMSCSUFQMDPHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O2/c1-13(28)27-11-22(12-27)8-14(9-22)7-15-10-24-25-21(15)17-3-5-18-16(20(17)23)4-6-19(29)26(18)2/h3,5,10,14H,4,6-9,11-12H2,1-2H3,(H,24,25).
What are the key properties of 6-[4-[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)methyl]-1H-pyrazol-5-yl]-5-chloro-1-methyl-3,4-dihydroquinolin-2-one?
6-[4-[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)methyl]-1H-pyrazol-5-yl]-5-chloro-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 412.92 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)methyl]-1H-pyrazol-5-yl]-5-chloro-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 121305449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).