ethyl N-[2-(7,8-difluoro-4-oxo-1H-quinolin-2-yl)phenyl]carbamate

C18H14F2N2O3 — CID 123863775

IUPACethyl N-[2-(7,8-difluoro-4-oxo-1H-quinolin-2-yl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccccc1-c1cc(=O)c2ccc(F)c(F)c2[nH]1
InChIInChI=1S/C18H14F2N2O3/c1-2-25-18(24)22-13-6-4-3-5-10(13)14-9-15(23)11-7-8-12(19)16(20)17(11)21-14/h3-9H,2H2,1H3,(H,21,23)(H,22,24)
InChIKeyMMOCNDSLDBQMRC-UHFFFAOYSA-N
MW344.32 g/mol
LogP4.04
Rot. Bonds3

About ethyl N-[2-(7,8-difluoro-4-oxo-1H-quinolin-2-yl)phenyl]carbamate

ethyl N-[2-(7,8-difluoro-4-oxo-1H-quinolin-2-yl)phenyl]carbamate (PubChem CID 123863775) has the molecular formula C18H14F2N2O3 and a molecular weight of 344.32 g/mol. Its IUPAC name is ethyl N-[2-(7,8-difluoro-4-oxo-1H-quinolin-2-yl)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(7,8-difluoro-4-oxo-1H-quinolin-2-yl)phenyl]carbamate
PubChem CID123863775
Molecular FormulaC18H14F2N2O3
Molecular Weight344.32 g/mol
Exact Mass344.10
IUPAC Nameethyl N-[2-(7,8-difluoro-4-oxo-1H-quinolin-2-yl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccccc1-c1cc(=O)c2ccc(F)c(F)c2[nH]1
InChIInChI=1S/C18H14F2N2O3/c1-2-25-18(24)22-13-6-4-3-5-10(13)14-9-15(23)11-7-8-12(19)16(20)17(11)21-14/h3-9H,2H2,1H3,(H,21,23)(H,22,24)
InChIKeyMMOCNDSLDBQMRC-UHFFFAOYSA-N
XLogP4.04
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(7,8-difluoro-4-oxo-1H-quinolin-2-yl)phenyl]carbamate?
The IUPAC name of ethyl N-[2-(7,8-difluoro-4-oxo-1H-quinolin-2-yl)phenyl]carbamate (CID 123863775) is ethyl N-[2-(7,8-difluoro-4-oxo-1H-quinolin-2-yl)phenyl]carbamate.
What is the SMILES notation for ethyl N-[2-(7,8-difluoro-4-oxo-1H-quinolin-2-yl)phenyl]carbamate?
The canonical SMILES for ethyl N-[2-(7,8-difluoro-4-oxo-1H-quinolin-2-yl)phenyl]carbamate is CCOC(=O)Nc1ccccc1-c1cc(=O)c2ccc(F)c(F)c2[nH]1.
What is the InChIKey of ethyl N-[2-(7,8-difluoro-4-oxo-1H-quinolin-2-yl)phenyl]carbamate?
The InChIKey is MMOCNDSLDBQMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O3/c1-2-25-18(24)22-13-6-4-3-5-10(13)14-9-15(23)11-7-8-12(19)16(20)17(11)21-14/h3-9H,2H2,1H3,(H,21,23)(H,22,24).
What are the key properties of ethyl N-[2-(7,8-difluoro-4-oxo-1H-quinolin-2-yl)phenyl]carbamate?
ethyl N-[2-(7,8-difluoro-4-oxo-1H-quinolin-2-yl)phenyl]carbamate has a molecular weight of 344.32 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(7,8-difluoro-4-oxo-1H-quinolin-2-yl)phenyl]carbamate is sourced from PubChem (CID 123863775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).