methyl 2,4-difluoro-5-(quinoline-4-carbonylamino)benzoate

C18H12F2N2O3 — CID 78845060

IUPACmethyl 2,4-difluoro-5-(quinoline-4-carbonylamino)benzoate
SMILESCOC(=O)c1cc(NC(=O)c2ccnc3ccccc23)c(F)cc1F
InChIInChI=1S/C18H12F2N2O3/c1-25-18(24)12-8-16(14(20)9-13(12)19)22-17(23)11-6-7-21-15-5-3-2-4-10(11)15/h2-9H,1H3,(H,22,23)
InChIKeyPZAMCHFJXWTFTC-UHFFFAOYSA-N
MW342.30 g/mol
LogP3.55
Rot. Bonds3

About methyl 2,4-difluoro-5-(quinoline-4-carbonylamino)benzoate

methyl 2,4-difluoro-5-(quinoline-4-carbonylamino)benzoate (PubChem CID 78845060) has the molecular formula C18H12F2N2O3 and a molecular weight of 342.30 g/mol. Its IUPAC name is methyl 2,4-difluoro-5-(quinoline-4-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 2,4-difluoro-5-(quinoline-4-carbonylamino)benzoate
PubChem CID78845060
Molecular FormulaC18H12F2N2O3
Molecular Weight342.30 g/mol
Exact Mass342.08
IUPAC Namemethyl 2,4-difluoro-5-(quinoline-4-carbonylamino)benzoate
SMILESCOC(=O)c1cc(NC(=O)c2ccnc3ccccc23)c(F)cc1F
InChIInChI=1S/C18H12F2N2O3/c1-25-18(24)12-8-16(14(20)9-13(12)19)22-17(23)11-6-7-21-15-5-3-2-4-10(11)15/h2-9H,1H3,(H,22,23)
InChIKeyPZAMCHFJXWTFTC-UHFFFAOYSA-N
XLogP3.55
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-2-methylphenyl)quinoline-4-carboxamide
CID 78814142
methyl 2,4-difluoro-5-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]benzoate
CID 39119523
N-(4-chloro-2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 78813029
N-(2-amino-4-hydroxyphenyl)quinoline-4-carboxamide
CID 107697606
N-(4-iodo-2-methylphenyl)quinoline-4-carboxamide
CID 134008388
methyl 5-[(2,4-difluoro-5-methoxycarbonylphenyl)carbamoylamino]-2,4-difluorobenzoate
CID 139215222
N-(2-bromo-5-methylphenyl)quinoline-4-carboxamide
CID 82712316
N-(4-bromo-3-fluorophenyl)quinoline-4-carboxamide
CID 79012185
N-(2-phenylphenyl)quinoline-4-carboxamide
CID 142724043
methyl 2,4-difluoro-5-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]benzoate
CID 78860098
N-[2-(chloromethyl)phenyl]quinoline-4-carboxamide
CID 114298272
N-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]quinoline-4-carboxamide
CID 60576249

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-difluoro-5-(quinoline-4-carbonylamino)benzoate?
The IUPAC name of methyl 2,4-difluoro-5-(quinoline-4-carbonylamino)benzoate (CID 78845060) is methyl 2,4-difluoro-5-(quinoline-4-carbonylamino)benzoate.
What is the SMILES notation for methyl 2,4-difluoro-5-(quinoline-4-carbonylamino)benzoate?
The canonical SMILES for methyl 2,4-difluoro-5-(quinoline-4-carbonylamino)benzoate is COC(=O)c1cc(NC(=O)c2ccnc3ccccc23)c(F)cc1F.
What is the InChIKey of methyl 2,4-difluoro-5-(quinoline-4-carbonylamino)benzoate?
The InChIKey is PZAMCHFJXWTFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2O3/c1-25-18(24)12-8-16(14(20)9-13(12)19)22-17(23)11-6-7-21-15-5-3-2-4-10(11)15/h2-9H,1H3,(H,22,23).
What are the key properties of methyl 2,4-difluoro-5-(quinoline-4-carbonylamino)benzoate?
methyl 2,4-difluoro-5-(quinoline-4-carbonylamino)benzoate has a molecular weight of 342.30 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-difluoro-5-(quinoline-4-carbonylamino)benzoate is sourced from PubChem (CID 78845060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).