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

C19H13F2NO5 — CID 18073475

IUPAC7-[4-(difluoromethoxy)phenyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(OC(F)F)cc2)nc2cc3c(cc12)OCCO3
InChIInChI=1S/C19H13F2NO5/c20-19(21)27-11-3-1-10(2-4-11)14-7-13(18(23)24)12-8-16-17(9-15(12)22-14)26-6-5-25-16/h1-4,7-9,19H,5-6H2,(H,23,24)
InChIKeyGDKJEPQWACAMPS-UHFFFAOYSA-N
MW373.31 g/mol
LogP3.97
Rot. Bonds4

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

7-[4-(difluoromethoxy)phenyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid (PubChem CID 18073475) has the molecular formula C19H13F2NO5 and a molecular weight of 373.31 g/mol. Its IUPAC name is 7-[4-(difluoromethoxy)phenyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid.

Molecular Properties

Compound Name7-[4-(difluoromethoxy)phenyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
PubChem CID18073475
Molecular FormulaC19H13F2NO5
Molecular Weight373.31 g/mol
Exact Mass373.08
IUPAC Name7-[4-(difluoromethoxy)phenyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(OC(F)F)cc2)nc2cc3c(cc12)OCCO3
InChIInChI=1S/C19H13F2NO5/c20-19(21)27-11-3-1-10(2-4-11)14-7-13(18(23)24)12-8-16-17(9-15(12)22-14)26-6-5-25-16/h1-4,7-9,19H,5-6H2,(H,23,24)
InChIKeyGDKJEPQWACAMPS-UHFFFAOYSA-N
XLogP3.97
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

8-(4-methoxyphenyl)-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid
CID 18073731
7-(3,4-difluorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
CID 18073489
8-(4-ethoxyphenyl)-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid
CID 18073739
6-acetamido-2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylic acid
CID 18073443
7-acetamido-2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylic acid
CID 18073616
7-(3-chlorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
CID 18073477
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
N-[4-(difluoromethoxy)phenyl]-2-phenylquinoline-4-carboxamide
CID 2318784
2-[4-(8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)phenoxy]acetic acid;hydrochloride
CID 47006423
6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 4277393
6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid
CID 3511446

Frequently Asked Questions

What is the IUPAC name of 7-[4-(difluoromethoxy)phenyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid?
The IUPAC name of 7-[4-(difluoromethoxy)phenyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid (CID 18073475) is 7-[4-(difluoromethoxy)phenyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid.
What is the SMILES notation for 7-[4-(difluoromethoxy)phenyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid?
The canonical SMILES for 7-[4-(difluoromethoxy)phenyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid is O=C(O)c1cc(-c2ccc(OC(F)F)cc2)nc2cc3c(cc12)OCCO3.
What is the InChIKey of 7-[4-(difluoromethoxy)phenyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid?
The InChIKey is GDKJEPQWACAMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2NO5/c20-19(21)27-11-3-1-10(2-4-11)14-7-13(18(23)24)12-8-16-17(9-15(12)22-14)26-6-5-25-16/h1-4,7-9,19H,5-6H2,(H,23,24).
What are the key properties of 7-[4-(difluoromethoxy)phenyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid?
7-[4-(difluoromethoxy)phenyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid has a molecular weight of 373.31 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(difluoromethoxy)phenyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid is sourced from PubChem (CID 18073475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).