1-methyl-4-[3-methyl-5-[5-methyl-2-(1-methyl-2-oxoquinolin-4-yl)-3-oxo-1H-pyrazol-4-yl]pyrazol-1-yl]quinolin-2-one

C28H24N6O3 — CID 135415199

IUPAC1-methyl-4-[3-methyl-5-[5-methyl-2-(1-methyl-2-oxoquinolin-4-yl)-3-oxo-1H-pyrazol-4-yl]pyrazol-1-yl]quinolin-2-one
SMILESCc1cc(-c2c(C)[nH]n(-c3cc(=O)n(C)c4ccccc34)c2=O)n(-c2cc(=O)n(C)c3ccccc23)n1
InChIInChI=1S/C28H24N6O3/c1-16-13-24(33(29-16)22-14-25(35)31(3)20-11-7-5-9-18(20)22)27-17(2)30-34(28(27)37)23-15-26(36)32(4)21-12-8-6-10-19(21)23/h5-15,30H,1-4H3
InChIKeyPCAASSFPRGEPDM-UHFFFAOYSA-N
MW492.54 g/mol
LogP3.34
Rot. Bonds3

About 1-methyl-4-[3-methyl-5-[5-methyl-2-(1-methyl-2-oxoquinolin-4-yl)-3-oxo-1H-pyrazol-4-yl]pyrazol-1-yl]quinolin-2-one

1-methyl-4-[3-methyl-5-[5-methyl-2-(1-methyl-2-oxoquinolin-4-yl)-3-oxo-1H-pyrazol-4-yl]pyrazol-1-yl]quinolin-2-one (PubChem CID 135415199) has the molecular formula C28H24N6O3 and a molecular weight of 492.54 g/mol. Its IUPAC name is 1-methyl-4-[3-methyl-5-[5-methyl-2-(1-methyl-2-oxoquinolin-4-yl)-3-oxo-1H-pyrazol-4-yl]pyrazol-1-yl]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-[3-methyl-5-[5-methyl-2-(1-methyl-2-oxoquinolin-4-yl)-3-oxo-1H-pyrazol-4-yl]pyrazol-1-yl]quinolin-2-one
PubChem CID135415199
Molecular FormulaC28H24N6O3
Molecular Weight492.54 g/mol
Exact Mass492.19
IUPAC Name1-methyl-4-[3-methyl-5-[5-methyl-2-(1-methyl-2-oxoquinolin-4-yl)-3-oxo-1H-pyrazol-4-yl]pyrazol-1-yl]quinolin-2-one
SMILESCc1cc(-c2c(C)[nH]n(-c3cc(=O)n(C)c4ccccc34)c2=O)n(-c2cc(=O)n(C)c3ccccc23)n1
InChIInChI=1S/C28H24N6O3/c1-16-13-24(33(29-16)22-14-25(35)31(3)20-11-7-5-9-18(20)22)27-17(2)30-34(28(27)37)23-15-26(36)32(4)21-12-8-6-10-19(21)23/h5-15,30H,1-4H3
InChIKeyPCAASSFPRGEPDM-UHFFFAOYSA-N
XLogP3.34
TPSA99.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.54
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-methyl-4-[3-methyl-5-[5-methyl-2-(1-methyl-2-oxoquinolin-4-yl)-3-oxo-1H-pyrazol-4-yl]pyrazol-1-yl]quinolin-2-one with MolForge

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Related Compounds

5-methyl-2-(1-methyl-2-oxoquinolin-4-yl)pyrazolo[4,3-c]quinolin-4-one
CID 10570239
4-(2,6-dimethylphenyl)-1-methylquinolin-2-one
CID 135055452
1-methyl-4-piperidin-1-ylquinolin-2-one
CID 154146370
4-(diethylamino)-1-methylquinolin-2-one
CID 121227285
1-methyl-1,4-benzodiazepine-2,5-dione
CID 22316535
1-methyl-4-(4-methylphenyl)sulfanylquinolin-2-one
CID 46926579
5-(5-methyl-3-oxo-4-phenyl-1H-pyrazol-2-yl)-1H-pyridazin-6-one
CID 91552094
4-[3-(2-methoxyethyl)-5-morpholin-2-yl-1,2,4-triazol-1-yl]-1-methylquinolin-2-one
CID 74239896
ethane;4-hydroxy-1,3-dimethylquinolin-2-one
CID 91565927
4-(1,2-dihydropyridin-4-yl)-1-methylquinolin-2-one
CID 143221630
1-methyl-4-[(5-methylpyrazin-2-yl)methylamino]quinolin-2-one
CID 81244466
3,4-bis(1,2-dimethylindol-3-yl)cyclobut-3-ene-1,2-dione
CID 126480670

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-methyl-5-[5-methyl-2-(1-methyl-2-oxoquinolin-4-yl)-3-oxo-1H-pyrazol-4-yl]pyrazol-1-yl]quinolin-2-one?
The IUPAC name of 1-methyl-4-[3-methyl-5-[5-methyl-2-(1-methyl-2-oxoquinolin-4-yl)-3-oxo-1H-pyrazol-4-yl]pyrazol-1-yl]quinolin-2-one (CID 135415199) is 1-methyl-4-[3-methyl-5-[5-methyl-2-(1-methyl-2-oxoquinolin-4-yl)-3-oxo-1H-pyrazol-4-yl]pyrazol-1-yl]quinolin-2-one.
What is the SMILES notation for 1-methyl-4-[3-methyl-5-[5-methyl-2-(1-methyl-2-oxoquinolin-4-yl)-3-oxo-1H-pyrazol-4-yl]pyrazol-1-yl]quinolin-2-one?
The canonical SMILES for 1-methyl-4-[3-methyl-5-[5-methyl-2-(1-methyl-2-oxoquinolin-4-yl)-3-oxo-1H-pyrazol-4-yl]pyrazol-1-yl]quinolin-2-one is Cc1cc(-c2c(C)[nH]n(-c3cc(=O)n(C)c4ccccc34)c2=O)n(-c2cc(=O)n(C)c3ccccc23)n1.
What is the InChIKey of 1-methyl-4-[3-methyl-5-[5-methyl-2-(1-methyl-2-oxoquinolin-4-yl)-3-oxo-1H-pyrazol-4-yl]pyrazol-1-yl]quinolin-2-one?
The InChIKey is PCAASSFPRGEPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O3/c1-16-13-24(33(29-16)22-14-25(35)31(3)20-11-7-5-9-18(20)22)27-17(2)30-34(28(27)37)23-15-26(36)32(4)21-12-8-6-10-19(21)23/h5-15,30H,1-4H3.
What are the key properties of 1-methyl-4-[3-methyl-5-[5-methyl-2-(1-methyl-2-oxoquinolin-4-yl)-3-oxo-1H-pyrazol-4-yl]pyrazol-1-yl]quinolin-2-one?
1-methyl-4-[3-methyl-5-[5-methyl-2-(1-methyl-2-oxoquinolin-4-yl)-3-oxo-1H-pyrazol-4-yl]pyrazol-1-yl]quinolin-2-one has a molecular weight of 492.54 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-methyl-5-[5-methyl-2-(1-methyl-2-oxoquinolin-4-yl)-3-oxo-1H-pyrazol-4-yl]pyrazol-1-yl]quinolin-2-one is sourced from PubChem (CID 135415199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).