ethyl N-[2-(6,7-difluoro-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate

C18H14F2N2O4 — CID 66649980

IUPACethyl N-[2-(6,7-difluoro-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate
SMILESCCOC(=O)Nc1cc(O)ccc1-c1cc(=O)c2cc(F)c(F)cc2[nH]1
InChIInChI=1S/C18H14F2N2O4/c1-2-26-18(25)22-14-5-9(23)3-4-10(14)16-8-17(24)11-6-12(19)13(20)7-15(11)21-16/h3-8,23H,2H2,1H3,(H,21,24)(H,22,25)
InChIKeySICYPRCPHYMHJO-UHFFFAOYSA-N
MW360.32 g/mol
LogP3.75
Rot. Bonds3

About ethyl N-[2-(6,7-difluoro-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate

ethyl N-[2-(6,7-difluoro-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate (PubChem CID 66649980) has the molecular formula C18H14F2N2O4 and a molecular weight of 360.32 g/mol. Its IUPAC name is ethyl N-[2-(6,7-difluoro-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(6,7-difluoro-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate
PubChem CID66649980
Molecular FormulaC18H14F2N2O4
Molecular Weight360.32 g/mol
Exact Mass360.09
IUPAC Nameethyl N-[2-(6,7-difluoro-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate
SMILESCCOC(=O)Nc1cc(O)ccc1-c1cc(=O)c2cc(F)c(F)cc2[nH]1
InChIInChI=1S/C18H14F2N2O4/c1-2-26-18(25)22-14-5-9(23)3-4-10(14)16-8-17(24)11-6-12(19)13(20)7-15(11)21-16/h3-8,23H,2H2,1H3,(H,21,24)(H,22,25)
InChIKeySICYPRCPHYMHJO-UHFFFAOYSA-N
XLogP3.75
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(6,7-difluoro-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate?
The IUPAC name of ethyl N-[2-(6,7-difluoro-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate (CID 66649980) is ethyl N-[2-(6,7-difluoro-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate.
What is the SMILES notation for ethyl N-[2-(6,7-difluoro-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate?
The canonical SMILES for ethyl N-[2-(6,7-difluoro-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate is CCOC(=O)Nc1cc(O)ccc1-c1cc(=O)c2cc(F)c(F)cc2[nH]1.
What is the InChIKey of ethyl N-[2-(6,7-difluoro-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate?
The InChIKey is SICYPRCPHYMHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O4/c1-2-26-18(25)22-14-5-9(23)3-4-10(14)16-8-17(24)11-6-12(19)13(20)7-15(11)21-16/h3-8,23H,2H2,1H3,(H,21,24)(H,22,25).
What are the key properties of ethyl N-[2-(6,7-difluoro-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate?
ethyl N-[2-(6,7-difluoro-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate has a molecular weight of 360.32 g/mol, XLogP of 3.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(6,7-difluoro-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate is sourced from PubChem (CID 66649980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).