methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]benzoate

C19H15FN2O3 — CID 18126786

IUPACmethyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc2ccc(F)cc2nc1C
InChIInChI=1S/C19H15FN2O3/c1-11-15(9-12-7-8-13(20)10-17(12)21-11)18(23)22-16-6-4-3-5-14(16)19(24)25-2/h3-10H,1-2H3,(H,22,23)
InChIKeyMUHSETWTRAEPRD-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.72
Rot. Bonds3

About methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]benzoate

methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]benzoate (PubChem CID 18126786) has the molecular formula C19H15FN2O3 and a molecular weight of 338.34 g/mol. Its IUPAC name is methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]benzoate
PubChem CID18126786
Molecular FormulaC19H15FN2O3
Molecular Weight338.34 g/mol
Exact Mass338.11
IUPAC Namemethyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc2ccc(F)cc2nc1C
InChIInChI=1S/C19H15FN2O3/c1-11-15(9-12-7-8-13(20)10-17(12)21-11)18(23)22-16-6-4-3-5-14(16)19(24)25-2/h3-10H,1-2H3,(H,22,23)
InChIKeyMUHSETWTRAEPRD-UHFFFAOYSA-N
XLogP3.72
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-2-methyl-N-(2-propoxyphenyl)quinoline-3-carboxamide
CID 46808171
methyl N-[3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]phenyl]carbamate
CID 87025782
methyl 2-[(2-amino-4-fluorobenzoyl)amino]benzoate
CID 63109743
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 17418027
N-(4-ethylphenyl)-7-fluoro-2-methylquinoline-3-carboxamide
CID 46520271
methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoate
CID 115872529
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,7-dimethylquinoline-3-carboxamide
CID 55912071
N-[4-(2,2-dimethylpropanoylamino)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 24641732
7-fluoro-N-(3-methoxypropyl)-2-methylquinoline-3-carboxamide
CID 46532107
N-[4-(difluoromethoxy)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 46520644
methyl 2-[(3-fluoro-5-methylbenzoyl)amino]benzoate
CID 115659778
2-chloro-N-(2-chlorophenyl)-7-fluoroquinoline-3-carboxamide
CID 110299179

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]benzoate (CID 18126786) is methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cc2ccc(F)cc2nc1C.
What is the InChIKey of methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]benzoate?
The InChIKey is MUHSETWTRAEPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3/c1-11-15(9-12-7-8-13(20)10-17(12)21-11)18(23)22-16-6-4-3-5-14(16)19(24)25-2/h3-10H,1-2H3,(H,22,23).
What are the key properties of methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]benzoate?
methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]benzoate has a molecular weight of 338.34 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]benzoate is sourced from PubChem (CID 18126786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).