7-thiophen-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid

C16H11NO4S — CID 3162461

IUPAC7-thiophen-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)nc2cc3c(cc12)OCCO3
InChIInChI=1S/C16H11NO4S/c18-16(19)10-6-12(15-2-1-5-22-15)17-11-8-14-13(7-9(10)11)20-3-4-21-14/h1-2,5-8H,3-4H2,(H,18,19)
InChIKeyKFQATEOFTMUMAN-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.43
Rot. Bonds2

About 7-thiophen-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid

7-thiophen-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid (PubChem CID 3162461) has the molecular formula C16H11NO4S and a molecular weight of 313.33 g/mol. Its IUPAC name is 7-thiophen-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid.

Molecular Properties

Compound Name7-thiophen-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
PubChem CID3162461
Molecular FormulaC16H11NO4S
Molecular Weight313.33 g/mol
Exact Mass313.04
IUPAC Name7-thiophen-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)nc2cc3c(cc12)OCCO3
InChIInChI=1S/C16H11NO4S/c18-16(19)10-6-12(15-2-1-5-22-15)17-11-8-14-13(7-9(10)11)20-3-4-21-14/h1-2,5-8H,3-4H2,(H,18,19)
InChIKeyKFQATEOFTMUMAN-UHFFFAOYSA-N
XLogP3.43
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-thiophen-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid with MolForge

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Related Compounds

2-(3-Methoxyphenyl)-2-oxoethyl 2-(2-thienyl)-4-quinolinecarboxylate
CID 1218256
2-(2,3-Dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxylic acid
CID 682378
2-(3,4-Dimethoxy-phenyl)-6-ethoxy-quinoline-4-carboxylic acid
CID 651645
4,5-Dimethoxy-2-[2-(3-methyl-quinolin-2-ylsulfanyl)-acetylamino]-benzoic acid
CID 1153239
4,5-Dimethoxy-2-[[2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetyl]amino]benzoic acid
CID 1176219
2-[2-(3-Ethyl-quinolin-2-ylsulfanyl)-acetylamino]-4,5-dimethoxy-benzoic acid
CID 3207888
2-[[2-(3-Ethyl-6-methoxyquinolin-2-yl)sulfanylacetyl]amino]-4,5-dimethoxybenzoic acid
CID 3208029
7-[4-(Methoxycarbonyl)phenyl]-2,3-dihydro[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
CID 3243558
4-(8-Methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-ylsulfanylmethyl)-benzoic acid
CID 1171981
2-[3-Methoxy-4-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]phenyl]quinoline-4-carboxylic acid
CID 164622095
7-(4-Hydroxy-3-methoxyphenyl)-2,3-dihydro[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
CID 3162459
Ethyl6-{[(4-methylphenyl)sulfanyl]methyl}[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
CID 4127297

Frequently Asked Questions

What is the IUPAC name of 7-thiophen-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid?
The IUPAC name of 7-thiophen-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid (CID 3162461) is 7-thiophen-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid.
What is the SMILES notation for 7-thiophen-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid?
The canonical SMILES for 7-thiophen-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid is O=C(O)c1cc(-c2cccs2)nc2cc3c(cc12)OCCO3.
What is the InChIKey of 7-thiophen-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid?
The InChIKey is KFQATEOFTMUMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO4S/c18-16(19)10-6-12(15-2-1-5-22-15)17-11-8-14-13(7-9(10)11)20-3-4-21-14/h1-2,5-8H,3-4H2,(H,18,19).
What are the key properties of 7-thiophen-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid?
7-thiophen-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid has a molecular weight of 313.33 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-thiophen-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid is sourced from PubChem (CID 3162461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).