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

C18H12ClNO4 — CID 18073477

IUPAC7-(3-chlorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(Cl)c2)nc2cc3c(cc12)OCCO3
InChIInChI=1S/C18H12ClNO4/c19-11-3-1-2-10(6-11)14-7-13(18(21)22)12-8-16-17(9-15(12)20-14)24-5-4-23-16/h1-3,6-9H,4-5H2,(H,21,22)
InChIKeyFDWKDBXKMSOSBW-UHFFFAOYSA-N
MW341.75 g/mol
LogP4.02
Rot. Bonds2

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

7-(3-chlorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid (PubChem CID 18073477) has the molecular formula C18H12ClNO4 and a molecular weight of 341.75 g/mol. Its IUPAC name is 7-(3-chlorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid.

Molecular Properties

Compound Name7-(3-chlorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
PubChem CID18073477
Molecular FormulaC18H12ClNO4
Molecular Weight341.75 g/mol
Exact Mass341.05
IUPAC Name7-(3-chlorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(Cl)c2)nc2cc3c(cc12)OCCO3
InChIInChI=1S/C18H12ClNO4/c19-11-3-1-2-10(6-11)14-7-13(18(21)22)12-8-16-17(9-15(12)20-14)24-5-4-23-16/h1-3,6-9H,4-5H2,(H,21,22)
InChIKeyFDWKDBXKMSOSBW-UHFFFAOYSA-N
XLogP4.02
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.75
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(3,4-difluorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
CID 18073489
6-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid
CID 3972728
7-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid
CID 4504347
7-pyridin-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
CID 17486419
2-(3-chlorophenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
CID 3618004
7-[4-(difluoromethoxy)phenyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
CID 18073475
6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid
CID 3348265
8-thiophen-3-yl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid
CID 18073747
8-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxylic acid
CID 4603899
8-(4-methoxyphenyl)-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid
CID 18073731
[2-(3-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 1261463
2-(3-chlorophenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 3536626

Frequently Asked Questions

What is the IUPAC name of 7-(3-chlorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid?
The IUPAC name of 7-(3-chlorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid (CID 18073477) is 7-(3-chlorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid.
What is the SMILES notation for 7-(3-chlorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid?
The canonical SMILES for 7-(3-chlorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid is O=C(O)c1cc(-c2cccc(Cl)c2)nc2cc3c(cc12)OCCO3.
What is the InChIKey of 7-(3-chlorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid?
The InChIKey is FDWKDBXKMSOSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClNO4/c19-11-3-1-2-10(6-11)14-7-13(18(21)22)12-8-16-17(9-15(12)20-14)24-5-4-23-16/h1-3,6-9H,4-5H2,(H,21,22).
What are the key properties of 7-(3-chlorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid?
7-(3-chlorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid has a molecular weight of 341.75 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid is sourced from PubChem (CID 18073477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).