4-[2-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-1,5-dimethyl-2-(4-methylphenyl)pyrazol-3-one

C29H26N4O4 — CID 58268717

IUPAC4-[2-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-1,5-dimethyl-2-(4-methylphenyl)pyrazol-3-one
SMILESCOc1ccc2c(Oc3ccc(CC(=O)c4c(C)n(C)n(-c5ccc(C)cc5)c4=O)nc3)ccnc2c1
InChIInChI=1S/C29H26N4O4/c1-18-5-8-21(9-6-18)33-29(35)28(19(2)32(33)3)26(34)15-20-7-10-23(17-31-20)37-27-13-14-30-25-16-22(36-4)11-12-24(25)27/h5-14,16-17H,15H2,1-4H3
InChIKeyVHIRPZGVXRFPJU-UHFFFAOYSA-N
MW494.55 g/mol
LogP4.96
Rot. Bonds7

About 4-[2-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-1,5-dimethyl-2-(4-methylphenyl)pyrazol-3-one

4-[2-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-1,5-dimethyl-2-(4-methylphenyl)pyrazol-3-one (PubChem CID 58268717) has the molecular formula C29H26N4O4 and a molecular weight of 494.55 g/mol. Its IUPAC name is 4-[2-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-1,5-dimethyl-2-(4-methylphenyl)pyrazol-3-one.

Molecular Properties

Compound Name4-[2-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-1,5-dimethyl-2-(4-methylphenyl)pyrazol-3-one
PubChem CID58268717
Molecular FormulaC29H26N4O4
Molecular Weight494.55 g/mol
Exact Mass494.20
IUPAC Name4-[2-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-1,5-dimethyl-2-(4-methylphenyl)pyrazol-3-one
SMILESCOc1ccc2c(Oc3ccc(CC(=O)c4c(C)n(C)n(-c5ccc(C)cc5)c4=O)nc3)ccnc2c1
InChIInChI=1S/C29H26N4O4/c1-18-5-8-21(9-6-18)33-29(35)28(19(2)32(33)3)26(34)15-20-7-10-23(17-31-20)37-27-13-14-30-25-16-22(36-4)11-12-24(25)27/h5-14,16-17H,15H2,1-4H3
InChIKeyVHIRPZGVXRFPJU-UHFFFAOYSA-N
XLogP4.96
TPSA88.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[2-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-1,5-dimethyl-2-(4-methylphenyl)pyrazol-3-one with MolForge

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Related Compounds

4-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-methyl-2-phenyl-1-prop-2-enylpyrazol-3-one
CID 58268747
N-[4-(5-deuterio-7-methoxyquinolin-4-yl)oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 72551191
1-(2,2-dimethylpropyl)-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 160606209
4-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-1-(2-hydroxyethyl)-5-methyl-2-phenylpyrazol-3-one
CID 58268808
N-[2,5-difluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 72550966
N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 44516532
[(2R)-1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] (2S)-2-aminopropanoate;hydrochloride
CID 66669934
1-(2-methoxyethyl)-2-[3-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]phenyl]-5-methyl-3-oxopyrazole-4-carboxamide
CID 142778496
1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl 2-(methylamino)acetate
CID 68740542
[(2R)-1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-aminoacetate
CID 66670758
4-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-2-phenyl-6,7-dihydro-5H-isoquinoline-3,8-dione
CID 158647341
benzoic acid;[(2R)-1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] (2S)-2-aminopropanoate
CID 46937601

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-1,5-dimethyl-2-(4-methylphenyl)pyrazol-3-one?
The IUPAC name of 4-[2-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-1,5-dimethyl-2-(4-methylphenyl)pyrazol-3-one (CID 58268717) is 4-[2-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-1,5-dimethyl-2-(4-methylphenyl)pyrazol-3-one.
What is the SMILES notation for 4-[2-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-1,5-dimethyl-2-(4-methylphenyl)pyrazol-3-one?
The canonical SMILES for 4-[2-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-1,5-dimethyl-2-(4-methylphenyl)pyrazol-3-one is COc1ccc2c(Oc3ccc(CC(=O)c4c(C)n(C)n(-c5ccc(C)cc5)c4=O)nc3)ccnc2c1.
What is the InChIKey of 4-[2-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-1,5-dimethyl-2-(4-methylphenyl)pyrazol-3-one?
The InChIKey is VHIRPZGVXRFPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O4/c1-18-5-8-21(9-6-18)33-29(35)28(19(2)32(33)3)26(34)15-20-7-10-23(17-31-20)37-27-13-14-30-25-16-22(36-4)11-12-24(25)27/h5-14,16-17H,15H2,1-4H3.
What are the key properties of 4-[2-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-1,5-dimethyl-2-(4-methylphenyl)pyrazol-3-one?
4-[2-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-1,5-dimethyl-2-(4-methylphenyl)pyrazol-3-one has a molecular weight of 494.55 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-1,5-dimethyl-2-(4-methylphenyl)pyrazol-3-one is sourced from PubChem (CID 58268717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).