ethyl 6-chloro-4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carboxylate

C19H16ClFN2O3 — CID 50776714

IUPACethyl 6-chloro-4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(NCc2ccccc2F)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C19H16ClFN2O3/c1-2-26-19(25)16-17(22-10-11-5-3-4-6-14(11)21)13-9-12(20)7-8-15(13)23-18(16)24/h3-9H,2,10H2,1H3,(H2,22,23,24)
InChIKeyVZACBFTZOFLGSV-UHFFFAOYSA-N
MW374.80 g/mol
LogP4.11
Rot. Bonds5

About ethyl 6-chloro-4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carboxylate

ethyl 6-chloro-4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carboxylate (PubChem CID 50776714) has the molecular formula C19H16ClFN2O3 and a molecular weight of 374.80 g/mol. Its IUPAC name is ethyl 6-chloro-4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carboxylate
PubChem CID50776714
Molecular FormulaC19H16ClFN2O3
Molecular Weight374.80 g/mol
Exact Mass374.08
IUPAC Nameethyl 6-chloro-4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(NCc2ccccc2F)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C19H16ClFN2O3/c1-2-26-19(25)16-17(22-10-11-5-3-4-6-14(11)21)13-9-12(20)7-8-15(13)23-18(16)24/h3-9H,2,10H2,1H3,(H2,22,23,24)
InChIKeyVZACBFTZOFLGSV-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 6-chloro-4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carboxylate (CID 50776714) is ethyl 6-chloro-4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c(NCc2ccccc2F)c2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of ethyl 6-chloro-4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carboxylate?
The InChIKey is VZACBFTZOFLGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O3/c1-2-26-19(25)16-17(22-10-11-5-3-4-6-14(11)21)13-9-12(20)7-8-15(13)23-18(16)24/h3-9H,2,10H2,1H3,(H2,22,23,24).
What are the key properties of ethyl 6-chloro-4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carboxylate?
ethyl 6-chloro-4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carboxylate has a molecular weight of 374.80 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 50776714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).