2-ethoxy-8-fluoro-7-methoxy-1H-quinolin-4-one

C12H12FNO3 — CID 143166911

IUPAC2-ethoxy-8-fluoro-7-methoxy-1H-quinolin-4-one
SMILESCCOc1cc(=O)c2ccc(OC)c(F)c2[nH]1
InChIInChI=1S/C12H12FNO3/c1-3-17-10-6-8(15)7-4-5-9(16-2)11(13)12(7)14-10/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyIKWKPDAPANQUIT-UHFFFAOYSA-N
MW237.23 g/mol
LogP2.07
Rot. Bonds3

About 2-ethoxy-8-fluoro-7-methoxy-1H-quinolin-4-one

2-ethoxy-8-fluoro-7-methoxy-1H-quinolin-4-one (PubChem CID 143166911) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is 2-ethoxy-8-fluoro-7-methoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name2-ethoxy-8-fluoro-7-methoxy-1H-quinolin-4-one
PubChem CID143166911
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name2-ethoxy-8-fluoro-7-methoxy-1H-quinolin-4-one
SMILESCCOc1cc(=O)c2ccc(OC)c(F)c2[nH]1
InChIInChI=1S/C12H12FNO3/c1-3-17-10-6-8(15)7-4-5-9(16-2)11(13)12(7)14-10/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyIKWKPDAPANQUIT-UHFFFAOYSA-N
XLogP2.07
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-8-iodo-1H-quinolin-4-one
CID 143166869
1-bromo-2-ethoxy-3-fluoro-4-methoxybenzene
CID 171000857
3-ethyl-7-fluoro-6-methoxy-1H-indole
CID 130049741
7,8-dimethoxy-2-phenyl-1H-quinolin-4-one
CID 11300504
(3-ethoxy-2-fluoro-6-methoxyphenyl)boronic acid
CID 164895481
CID 159264512
CID 159264512
2-ethoxy-6-methyl-1H-pyridin-4-one
CID 119090762
1-butoxy-2,3-difluoro-4-methoxybenzene
CID 118933366
ethyl N-[2-(7,8-difluoro-4-oxo-1H-quinolin-2-yl)phenyl]carbamate
CID 123863775
3-amino-1-(4-ethoxy-2,3-difluorophenyl)propan-1-one
CID 117329949
8-fluoro-7-methoxy-3H-quinazolin-4-one
CID 136983588
8-ethoxy-7-methoxy-9H-carbazole-4-carboxamide
CID 140536820

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-8-fluoro-7-methoxy-1H-quinolin-4-one?
The IUPAC name of 2-ethoxy-8-fluoro-7-methoxy-1H-quinolin-4-one (CID 143166911) is 2-ethoxy-8-fluoro-7-methoxy-1H-quinolin-4-one.
What is the SMILES notation for 2-ethoxy-8-fluoro-7-methoxy-1H-quinolin-4-one?
The canonical SMILES for 2-ethoxy-8-fluoro-7-methoxy-1H-quinolin-4-one is CCOc1cc(=O)c2ccc(OC)c(F)c2[nH]1.
What is the InChIKey of 2-ethoxy-8-fluoro-7-methoxy-1H-quinolin-4-one?
The InChIKey is IKWKPDAPANQUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c1-3-17-10-6-8(15)7-4-5-9(16-2)11(13)12(7)14-10/h4-6H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-ethoxy-8-fluoro-7-methoxy-1H-quinolin-4-one?
2-ethoxy-8-fluoro-7-methoxy-1H-quinolin-4-one has a molecular weight of 237.23 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-8-fluoro-7-methoxy-1H-quinolin-4-one is sourced from PubChem (CID 143166911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).