8-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxylic acid

C18H12ClNO4 — CID 4603899

IUPAC8-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc3c(c2)OCCO3)nc2c(Cl)cccc12
InChIInChI=1S/C18H12ClNO4/c19-13-3-1-2-11-12(18(21)22)9-14(20-17(11)13)10-4-5-15-16(8-10)24-7-6-23-15/h1-5,8-9H,6-7H2,(H,21,22)
InChIKeyVGTIFZYPOXXKSD-UHFFFAOYSA-N
MW341.75 g/mol
LogP4.02
Rot. Bonds2

About 8-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxylic acid

8-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxylic acid (PubChem CID 4603899) has the molecular formula C18H12ClNO4 and a molecular weight of 341.75 g/mol. Its IUPAC name is 8-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxylic acid
PubChem CID4603899
Molecular FormulaC18H12ClNO4
Molecular Weight341.75 g/mol
Exact Mass341.05
IUPAC Name8-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc3c(c2)OCCO3)nc2c(Cl)cccc12
InChIInChI=1S/C18H12ClNO4/c19-13-3-1-2-11-12(18(21)22)9-14(20-17(11)13)10-4-5-15-16(8-10)24-7-6-23-15/h1-5,8-9H,6-7H2,(H,21,22)
InChIKeyVGTIFZYPOXXKSD-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

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carbonyl chloride
CID 46779784
7-(3-chlorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
CID 18073477
2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
CID 5202236
8-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid
CID 3853520
4-amino-3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxylic acid
CID 123931312
2-(1,3-benzodioxol-5-yl)quinoline-4-carboxylic acid;phenylmethanamine
CID 19715615
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinolin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 112800068
8-chloro-2-(1H-indol-3-yl)quinoline-4-carboxylic acid
CID 18729725
2-carbamoyl-8-chloroquinoline-4-carboxylic acid
CID 118172273
6-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole-3-carboxylic acid
CID 129225366
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 17372199
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylpyridine-3-carboxylic acid
CID 116532959

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxylic acid?
The IUPAC name of 8-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxylic acid (CID 4603899) is 8-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 8-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 8-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccc3c(c2)OCCO3)nc2c(Cl)cccc12.
What is the InChIKey of 8-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxylic acid?
The InChIKey is VGTIFZYPOXXKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClNO4/c19-13-3-1-2-11-12(18(21)22)9-14(20-17(11)13)10-4-5-15-16(8-10)24-7-6-23-15/h1-5,8-9H,6-7H2,(H,21,22).
What are the key properties of 8-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxylic acid?
8-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-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 8-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 4603899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).