methyl 4-[2-(4-chlorophenyl)ethylamino]-6-fluoro-2-oxo-1H-quinoline-3-carboxylate

C19H16ClFN2O3 — CID 53063041

IUPACmethyl 4-[2-(4-chlorophenyl)ethylamino]-6-fluoro-2-oxo-1H-quinoline-3-carboxylate
SMILESCOC(=O)c1c(NCCc2ccc(Cl)cc2)c2cc(F)ccc2[nH]c1=O
InChIInChI=1S/C19H16ClFN2O3/c1-26-19(25)16-17(22-9-8-11-2-4-12(20)5-3-11)14-10-13(21)6-7-15(14)23-18(16)24/h2-7,10H,8-9H2,1H3,(H2,22,23,24)
InChIKeyPWUZTRUMUBOTON-UHFFFAOYSA-N
MW374.80 g/mol
LogP3.76
Rot. Bonds5

About methyl 4-[2-(4-chlorophenyl)ethylamino]-6-fluoro-2-oxo-1H-quinoline-3-carboxylate

methyl 4-[2-(4-chlorophenyl)ethylamino]-6-fluoro-2-oxo-1H-quinoline-3-carboxylate (PubChem CID 53063041) has the molecular formula C19H16ClFN2O3 and a molecular weight of 374.80 g/mol. Its IUPAC name is methyl 4-[2-(4-chlorophenyl)ethylamino]-6-fluoro-2-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(4-chlorophenyl)ethylamino]-6-fluoro-2-oxo-1H-quinoline-3-carboxylate
PubChem CID53063041
Molecular FormulaC19H16ClFN2O3
Molecular Weight374.80 g/mol
Exact Mass374.08
IUPAC Namemethyl 4-[2-(4-chlorophenyl)ethylamino]-6-fluoro-2-oxo-1H-quinoline-3-carboxylate
SMILESCOC(=O)c1c(NCCc2ccc(Cl)cc2)c2cc(F)ccc2[nH]c1=O
InChIInChI=1S/C19H16ClFN2O3/c1-26-19(25)16-17(22-9-8-11-2-4-12(20)5-3-11)14-10-13(21)6-7-15(14)23-18(16)24/h2-7,10H,8-9H2,1H3,(H2,22,23,24)
InChIKeyPWUZTRUMUBOTON-UHFFFAOYSA-N
XLogP3.76
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(4-chlorophenyl)ethylamino]-6-fluoro-2-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of methyl 4-[2-(4-chlorophenyl)ethylamino]-6-fluoro-2-oxo-1H-quinoline-3-carboxylate (CID 53063041) is methyl 4-[2-(4-chlorophenyl)ethylamino]-6-fluoro-2-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for methyl 4-[2-(4-chlorophenyl)ethylamino]-6-fluoro-2-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for methyl 4-[2-(4-chlorophenyl)ethylamino]-6-fluoro-2-oxo-1H-quinoline-3-carboxylate is COC(=O)c1c(NCCc2ccc(Cl)cc2)c2cc(F)ccc2[nH]c1=O.
What is the InChIKey of methyl 4-[2-(4-chlorophenyl)ethylamino]-6-fluoro-2-oxo-1H-quinoline-3-carboxylate?
The InChIKey is PWUZTRUMUBOTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O3/c1-26-19(25)16-17(22-9-8-11-2-4-12(20)5-3-11)14-10-13(21)6-7-15(14)23-18(16)24/h2-7,10H,8-9H2,1H3,(H2,22,23,24).
What are the key properties of methyl 4-[2-(4-chlorophenyl)ethylamino]-6-fluoro-2-oxo-1H-quinoline-3-carboxylate?
methyl 4-[2-(4-chlorophenyl)ethylamino]-6-fluoro-2-oxo-1H-quinoline-3-carboxylate has a molecular weight of 374.80 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(4-chlorophenyl)ethylamino]-6-fluoro-2-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 53063041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).