7-(3,4-difluorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid

C18H11F2NO4 — CID 18073489

IUPAC7-(3,4-difluorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)c(F)c2)nc2cc3c(cc12)OCCO3
InChIInChI=1S/C18H11F2NO4/c19-12-2-1-9(5-13(12)20)14-6-11(18(22)23)10-7-16-17(8-15(10)21-14)25-4-3-24-16/h1-2,5-8H,3-4H2,(H,22,23)
InChIKeyUFVAARAORPEREL-UHFFFAOYSA-N
MW343.29 g/mol
LogP3.65
Rot. Bonds2

About 7-(3,4-difluorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid

7-(3,4-difluorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid (PubChem CID 18073489) has the molecular formula C18H11F2NO4 and a molecular weight of 343.29 g/mol. Its IUPAC name is 7-(3,4-difluorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid.

Molecular Properties

Compound Name7-(3,4-difluorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
PubChem CID18073489
Molecular FormulaC18H11F2NO4
Molecular Weight343.29 g/mol
Exact Mass343.07
IUPAC Name7-(3,4-difluorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)c(F)c2)nc2cc3c(cc12)OCCO3
InChIInChI=1S/C18H11F2NO4/c19-12-2-1-9(5-13(12)20)14-6-11(18(22)23)10-7-16-17(8-15(10)21-14)25-4-3-24-16/h1-2,5-8H,3-4H2,(H,22,23)
InChIKeyUFVAARAORPEREL-UHFFFAOYSA-N
XLogP3.65
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(3,4-difluorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid with MolForge

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Related Compounds

7-(3-chlorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
CID 18073477
7-[4-(difluoromethoxy)phenyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
CID 18073475
2-(3,4-difluorophenyl)quinoline-4-carboxylic acid
CID 4611633
8-(4-methoxyphenyl)-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid
CID 18073731
7-pyridin-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
CID 17486419
8-thiophen-3-yl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid
CID 18073747
8-(4-ethoxyphenyl)-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid
CID 18073739
2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carbonyl chloride
CID 46779784
6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid
CID 3899945
6-(3,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69038091
6,7-difluoro-2-thiophen-3-ylquinoline-4-carboxylic acid
CID 80746977
8-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxylic acid
CID 4603899

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-difluorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid?
The IUPAC name of 7-(3,4-difluorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid (CID 18073489) is 7-(3,4-difluorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid.
What is the SMILES notation for 7-(3,4-difluorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid?
The canonical SMILES for 7-(3,4-difluorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid is O=C(O)c1cc(-c2ccc(F)c(F)c2)nc2cc3c(cc12)OCCO3.
What is the InChIKey of 7-(3,4-difluorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid?
The InChIKey is UFVAARAORPEREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2NO4/c19-12-2-1-9(5-13(12)20)14-6-11(18(22)23)10-7-16-17(8-15(10)21-14)25-4-3-24-16/h1-2,5-8H,3-4H2,(H,22,23).
What are the key properties of 7-(3,4-difluorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid?
7-(3,4-difluorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid has a molecular weight of 343.29 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-difluorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid is sourced from PubChem (CID 18073489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).