methyl 4-(4-fluoroanilino)quinoline-2-carboxylate

C17H13FN2O2 — CID 53113237

IUPACmethyl 4-(4-fluoroanilino)quinoline-2-carboxylate
SMILESCOC(=O)c1cc(Nc2ccc(F)cc2)c2ccccc2n1
InChIInChI=1S/C17H13FN2O2/c1-22-17(21)16-10-15(13-4-2-3-5-14(13)20-16)19-12-8-6-11(18)7-9-12/h2-10H,1H3,(H,19,20)
InChIKeyMHWQPTJDHLGDSV-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.90
Rot. Bonds3

About methyl 4-(4-fluoroanilino)quinoline-2-carboxylate

methyl 4-(4-fluoroanilino)quinoline-2-carboxylate (PubChem CID 53113237) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is methyl 4-(4-fluoroanilino)quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-fluoroanilino)quinoline-2-carboxylate
PubChem CID53113237
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Namemethyl 4-(4-fluoroanilino)quinoline-2-carboxylate
SMILESCOC(=O)c1cc(Nc2ccc(F)cc2)c2ccccc2n1
InChIInChI=1S/C17H13FN2O2/c1-22-17(21)16-10-15(13-4-2-3-5-14(13)20-16)19-12-8-6-11(18)7-9-12/h2-10H,1H3,(H,19,20)
InChIKeyMHWQPTJDHLGDSV-UHFFFAOYSA-N
XLogP3.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(4-bromoanilino)quinoline-2-carboxylate
CID 45499074
methyl 4-(2-methoxyanilino)quinoline-2-carboxylate
CID 53113238
methyl 6-fluoro-4-(2-methoxyanilino)quinoline-2-carboxylate
CID 53113277
methyl 4-(2-ethoxyanilino)quinoline-2-carboxylate
CID 45499064
2-[4-(4-fluoroanilino)quinolin-2-yl]acetic acid
CID 110435469
methyl 4-(4-fluoro-2-methylanilino)-6-methylquinoline-2-carboxylate
CID 53113268
methyl 4-(2,5-difluoroanilino)-8-methylquinoline-2-carboxylate
CID 53113330
methyl 8-fluoro-4-(2-fluoroanilino)quinoline-2-carboxylate
CID 53113340
methyl 4-(2-bromo-4-methylanilino)-6-fluoroquinoline-2-carboxylate
CID 53113296
4-[[2-(4-fluorophenyl)quinolin-4-yl]amino]phenol
CID 10882081
methyl 4-propan-2-ylquinoline-2-carboxylate
CID 138515929
methyl 6-methyl-4-(4-phenylmethoxyanilino)quinoline-2-carboxylate
CID 53001303

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-fluoroanilino)quinoline-2-carboxylate?
The IUPAC name of methyl 4-(4-fluoroanilino)quinoline-2-carboxylate (CID 53113237) is methyl 4-(4-fluoroanilino)quinoline-2-carboxylate.
What is the SMILES notation for methyl 4-(4-fluoroanilino)quinoline-2-carboxylate?
The canonical SMILES for methyl 4-(4-fluoroanilino)quinoline-2-carboxylate is COC(=O)c1cc(Nc2ccc(F)cc2)c2ccccc2n1.
What is the InChIKey of methyl 4-(4-fluoroanilino)quinoline-2-carboxylate?
The InChIKey is MHWQPTJDHLGDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c1-22-17(21)16-10-15(13-4-2-3-5-14(13)20-16)19-12-8-6-11(18)7-9-12/h2-10H,1H3,(H,19,20).
What are the key properties of methyl 4-(4-fluoroanilino)quinoline-2-carboxylate?
methyl 4-(4-fluoroanilino)quinoline-2-carboxylate has a molecular weight of 296.30 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-fluoroanilino)quinoline-2-carboxylate is sourced from PubChem (CID 53113237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).