methyl 2,4-difluoro-5-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]benzoate

C19H13F3N2O3 — CID 39119523

IUPACmethyl 2,4-difluoro-5-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2cc(C)nc3cc(F)ccc23)c(F)cc1F
InChIInChI=1S/C19H13F3N2O3/c1-9-5-12(11-4-3-10(20)6-16(11)23-9)18(25)24-17-7-13(19(26)27-2)14(21)8-15(17)22/h3-8H,1-2H3,(H,24,25)
InChIKeyDACWLIWTSNLALU-UHFFFAOYSA-N
MW374.32 g/mol
LogP4.00
Rot. Bonds3

About methyl 2,4-difluoro-5-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]benzoate

methyl 2,4-difluoro-5-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]benzoate (PubChem CID 39119523) has the molecular formula C19H13F3N2O3 and a molecular weight of 374.32 g/mol. Its IUPAC name is methyl 2,4-difluoro-5-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2,4-difluoro-5-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]benzoate
PubChem CID39119523
Molecular FormulaC19H13F3N2O3
Molecular Weight374.32 g/mol
Exact Mass374.09
IUPAC Namemethyl 2,4-difluoro-5-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2cc(C)nc3cc(F)ccc23)c(F)cc1F
InChIInChI=1S/C19H13F3N2O3/c1-9-5-12(11-4-3-10(20)6-16(11)23-9)18(25)24-17-7-13(19(26)27-2)14(21)8-15(17)22/h3-8H,1-2H3,(H,24,25)
InChIKeyDACWLIWTSNLALU-UHFFFAOYSA-N
XLogP4.00
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2,4-difluoro-5-(quinoline-4-carbonylamino)benzoate
CID 78845060
N-(2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide
CID 46686523
methyl 5-[(2,4-difluoro-5-methoxycarbonylphenyl)carbamoylamino]-2,4-difluorobenzoate
CID 139215222
N-(2-amino-4-fluorophenyl)-2-methylquinoline-4-carboxamide
CID 24710172
N-(4-benzamido-2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide
CID 46686426
N-(3-acetylphenyl)-7-fluoro-2-methylquinoline-4-carboxamide
CID 46422715
dimethyl 5-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate
CID 4732272
N-(2-chloro-4-fluorophenyl)-2-methylquinoline-4-carboxamide
CID 26364307
N-(2-fluoro-4-methylphenyl)-2-methylquinoline-4-carboxamide
CID 17451783
N-(2-fluoro-5-methylphenyl)-2-methylquinoline-4-carboxamide
CID 17434472
methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]benzoate
CID 18126786
methyl (2R)-2-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]-2-phenylpropanoate
CID 95155866

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-difluoro-5-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 2,4-difluoro-5-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]benzoate (CID 39119523) is methyl 2,4-difluoro-5-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2,4-difluoro-5-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2,4-difluoro-5-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]benzoate is COC(=O)c1cc(NC(=O)c2cc(C)nc3cc(F)ccc23)c(F)cc1F.
What is the InChIKey of methyl 2,4-difluoro-5-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]benzoate?
The InChIKey is DACWLIWTSNLALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O3/c1-9-5-12(11-4-3-10(20)6-16(11)23-9)18(25)24-17-7-13(19(26)27-2)14(21)8-15(17)22/h3-8H,1-2H3,(H,24,25).
What are the key properties of methyl 2,4-difluoro-5-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]benzoate?
methyl 2,4-difluoro-5-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]benzoate has a molecular weight of 374.32 g/mol, XLogP of 4.00, 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-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]benzoate is sourced from PubChem (CID 39119523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).