ethyl 2-(3-fluoro-5-methoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate

C20H18FNO5 — CID 71451676

IUPACethyl 2-(3-fluoro-5-methoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2cc(F)cc(OC)c2)[nH]c2cc(OC)ccc2c1=O
InChIInChI=1S/C20H18FNO5/c1-4-27-20(24)17-18(11-7-12(21)9-14(8-11)26-3)22-16-10-13(25-2)5-6-15(16)19(17)23/h5-10H,4H2,1-3H3,(H,22,23)
InChIKeyTWWSIYGCCLPZHA-UHFFFAOYSA-N
MW371.36 g/mol
LogP3.53
Rot. Bonds5

About ethyl 2-(3-fluoro-5-methoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate

ethyl 2-(3-fluoro-5-methoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 71451676) has the molecular formula C20H18FNO5 and a molecular weight of 371.36 g/mol. Its IUPAC name is ethyl 2-(3-fluoro-5-methoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-fluoro-5-methoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
PubChem CID71451676
Molecular FormulaC20H18FNO5
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Nameethyl 2-(3-fluoro-5-methoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2cc(F)cc(OC)c2)[nH]c2cc(OC)ccc2c1=O
InChIInChI=1S/C20H18FNO5/c1-4-27-20(24)17-18(11-7-12(21)9-14(8-11)26-3)22-16-10-13(25-2)5-6-15(16)19(17)23/h5-10H,4H2,1-3H3,(H,22,23)
InChIKeyTWWSIYGCCLPZHA-UHFFFAOYSA-N
XLogP3.53
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-fluoro-5-methoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 2-(3-fluoro-5-methoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate (CID 71451676) is ethyl 2-(3-fluoro-5-methoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-(3-fluoro-5-methoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 2-(3-fluoro-5-methoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c(-c2cc(F)cc(OC)c2)[nH]c2cc(OC)ccc2c1=O.
What is the InChIKey of ethyl 2-(3-fluoro-5-methoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is TWWSIYGCCLPZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO5/c1-4-27-20(24)17-18(11-7-12(21)9-14(8-11)26-3)22-16-10-13(25-2)5-6-15(16)19(17)23/h5-10H,4H2,1-3H3,(H,22,23).
What are the key properties of ethyl 2-(3-fluoro-5-methoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate?
ethyl 2-(3-fluoro-5-methoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 371.36 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-fluoro-5-methoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 71451676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).