methyl 4-(3-ethylanilino)-8-fluoroquinoline-2-carboxylate

C19H17FN2O2 — CID 53113346

IUPACmethyl 4-(3-ethylanilino)-8-fluoroquinoline-2-carboxylate
SMILESCCc1cccc(Nc2cc(C(=O)OC)nc3c(F)cccc23)c1
InChIInChI=1S/C19H17FN2O2/c1-3-12-6-4-7-13(10-12)21-16-11-17(19(23)24-2)22-18-14(16)8-5-9-15(18)20/h4-11H,3H2,1-2H3,(H,21,22)
InChIKeyMHVQNOTWRYAFJM-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.47
Rot. Bonds4

About methyl 4-(3-ethylanilino)-8-fluoroquinoline-2-carboxylate

methyl 4-(3-ethylanilino)-8-fluoroquinoline-2-carboxylate (PubChem CID 53113346) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is methyl 4-(3-ethylanilino)-8-fluoroquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-ethylanilino)-8-fluoroquinoline-2-carboxylate
PubChem CID53113346
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Namemethyl 4-(3-ethylanilino)-8-fluoroquinoline-2-carboxylate
SMILESCCc1cccc(Nc2cc(C(=O)OC)nc3c(F)cccc23)c1
InChIInChI=1S/C19H17FN2O2/c1-3-12-6-4-7-13(10-12)21-16-11-17(19(23)24-2)22-18-14(16)8-5-9-15(18)20/h4-11H,3H2,1-2H3,(H,21,22)
InChIKeyMHVQNOTWRYAFJM-UHFFFAOYSA-N
XLogP4.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-(3-ethylanilino)-8-fluoroquinoline-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(9-Acridinylamino)benzoic acid
CID 149241
Methyl 2-phenyl-4-quinolinecarboxylate
CID 609693
2-Oxo-2-phenylethyl quinoline-2-carboxylate
CID 1158601
Methyl 4-((2,6-dimethylquinolin-4-yl)amino)benzoate hydrochloride
CID 2789795
2-Quinolinecarboxylic acid (1-oxo-1-phenylpropan-2-yl) ester
CID 3151561
Ethyl 3,4-dimethylquinoline-2-carboxylate;hydrochloride
CID 16196364
[2-(Dimethylamino)-2-oxo-1-phenylethyl] quinoline-2-carboxylate
CID 16279786
Ethyl 3-[[[(2-methyl-4-quinolinyl)amino]carbonyl]amino]benzoate
CID 22745126
Methyl quinoline-2-carboxylate
CID 421738
Methyl 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 3588153
Ethyl 4-{[3-(ethoxycarbonyl)phenyl]amino}quinazoline-2-carboxylate
CID 1192534
(3-Nitrophenyl)methyl quinoline-2-carboxylate
CID 2352765

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-ethylanilino)-8-fluoroquinoline-2-carboxylate?
The IUPAC name of methyl 4-(3-ethylanilino)-8-fluoroquinoline-2-carboxylate (CID 53113346) is methyl 4-(3-ethylanilino)-8-fluoroquinoline-2-carboxylate.
What is the SMILES notation for methyl 4-(3-ethylanilino)-8-fluoroquinoline-2-carboxylate?
The canonical SMILES for methyl 4-(3-ethylanilino)-8-fluoroquinoline-2-carboxylate is CCc1cccc(Nc2cc(C(=O)OC)nc3c(F)cccc23)c1.
What is the InChIKey of methyl 4-(3-ethylanilino)-8-fluoroquinoline-2-carboxylate?
The InChIKey is MHVQNOTWRYAFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-3-12-6-4-7-13(10-12)21-16-11-17(19(23)24-2)22-18-14(16)8-5-9-15(18)20/h4-11H,3H2,1-2H3,(H,21,22).
What are the key properties of methyl 4-(3-ethylanilino)-8-fluoroquinoline-2-carboxylate?
methyl 4-(3-ethylanilino)-8-fluoroquinoline-2-carboxylate has a molecular weight of 324.36 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-ethylanilino)-8-fluoroquinoline-2-carboxylate is sourced from PubChem (CID 53113346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).