methyl 2-[8-chloro-1,4-dimethyl-2-oxo-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-5-yl]oxyacetate

C24H22ClN3O4 — CID 68608863

IUPACmethyl 2-[8-chloro-1,4-dimethyl-2-oxo-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-5-yl]oxyacetate
SMILESCOC(=O)COc1ccc(Cl)c2c1c(C)c(Cc1ccc(-n3cccn3)cc1)c(=O)n2C
InChIInChI=1S/C24H22ClN3O4/c1-15-18(13-16-5-7-17(8-6-16)28-12-4-11-26-28)24(30)27(2)23-19(25)9-10-20(22(15)23)32-14-21(29)31-3/h4-12H,13-14H2,1-3H3
InChIKeyITCIHKXDDJWWSD-UHFFFAOYSA-N
MW451.91 g/mol
LogP3.83
Rot. Bonds6

About methyl 2-[8-chloro-1,4-dimethyl-2-oxo-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-5-yl]oxyacetate

methyl 2-[8-chloro-1,4-dimethyl-2-oxo-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-5-yl]oxyacetate (PubChem CID 68608863) has the molecular formula C24H22ClN3O4 and a molecular weight of 451.91 g/mol. Its IUPAC name is methyl 2-[8-chloro-1,4-dimethyl-2-oxo-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-5-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[8-chloro-1,4-dimethyl-2-oxo-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-5-yl]oxyacetate
PubChem CID68608863
Molecular FormulaC24H22ClN3O4
Molecular Weight451.91 g/mol
Exact Mass451.13
IUPAC Namemethyl 2-[8-chloro-1,4-dimethyl-2-oxo-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-5-yl]oxyacetate
SMILESCOC(=O)COc1ccc(Cl)c2c1c(C)c(Cc1ccc(-n3cccn3)cc1)c(=O)n2C
InChIInChI=1S/C24H22ClN3O4/c1-15-18(13-16-5-7-17(8-6-16)28-12-4-11-26-28)24(30)27(2)23-19(25)9-10-20(22(15)23)32-14-21(29)31-3/h4-12H,13-14H2,1-3H3
InChIKeyITCIHKXDDJWWSD-UHFFFAOYSA-N
XLogP3.83
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.91
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[8-chloro-1,4-dimethyl-2-oxo-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-5-yl]oxyacetate with MolForge

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Related Compounds

methyl 2-[8-chloro-2-methoxy-4-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-5-yl]oxyacetate
CID 67455341
methyl 2-[3-[(4-chlorophenyl)methyl]-8-fluoro-1,4-dimethyl-2-oxoquinolin-5-yl]oxyacetate
CID 68605752
methyl 2-[3-[(3,4-dichlorophenyl)methyl]-1,4,7-trimethyl-2-oxoquinolin-5-yl]oxyacetate
CID 68606451
(4-pyrazol-1-ylphenyl)methyl 2-(2-methoxy-4-methylphenoxy)acetate
CID 39605576
8-chloro-2-(difluoromethoxy)-4-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-5-ol
CID 173074562
(4-pyrazol-1-ylphenyl)methyl 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 16571324
methyl 2-hydroxy-3,4-dimethyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzoate
CID 118468338
methyl 2-[[8-chloro-3-[(4-cyanophenyl)methyl]-2-ethyl-4-oxo-1H-quinolin-5-yl]oxy]acetate
CID 66717628
(4-pyrazol-1-ylphenyl)methyl 2-(4-acetylphenoxy)acetate
CID 16571292
methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
methyl 3-chloro-4-methoxy-2-(methoxymethoxy)-5-[(4-pyrazol-1-ylphenyl)methyl]benzoate
CID 118468333
[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 118006127

Frequently Asked Questions

What is the IUPAC name of methyl 2-[8-chloro-1,4-dimethyl-2-oxo-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-5-yl]oxyacetate?
The IUPAC name of methyl 2-[8-chloro-1,4-dimethyl-2-oxo-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-5-yl]oxyacetate (CID 68608863) is methyl 2-[8-chloro-1,4-dimethyl-2-oxo-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-5-yl]oxyacetate.
What is the SMILES notation for methyl 2-[8-chloro-1,4-dimethyl-2-oxo-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-5-yl]oxyacetate?
The canonical SMILES for methyl 2-[8-chloro-1,4-dimethyl-2-oxo-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-5-yl]oxyacetate is COC(=O)COc1ccc(Cl)c2c1c(C)c(Cc1ccc(-n3cccn3)cc1)c(=O)n2C.
What is the InChIKey of methyl 2-[8-chloro-1,4-dimethyl-2-oxo-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-5-yl]oxyacetate?
The InChIKey is ITCIHKXDDJWWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O4/c1-15-18(13-16-5-7-17(8-6-16)28-12-4-11-26-28)24(30)27(2)23-19(25)9-10-20(22(15)23)32-14-21(29)31-3/h4-12H,13-14H2,1-3H3.
What are the key properties of methyl 2-[8-chloro-1,4-dimethyl-2-oxo-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-5-yl]oxyacetate?
methyl 2-[8-chloro-1,4-dimethyl-2-oxo-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-5-yl]oxyacetate has a molecular weight of 451.91 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[8-chloro-1,4-dimethyl-2-oxo-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-5-yl]oxyacetate is sourced from PubChem (CID 68608863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).