2-(8-methyl-6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid

C17H13NO4S — CID 18073411

IUPAC2-(8-methyl-6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid
SMILESCc1c(CC(=O)O)c(-c2cccs2)nc2cc3c(cc12)OCO3
InChIInChI=1S/C17H13NO4S/c1-9-10-5-13-14(22-8-21-13)7-12(10)18-17(11(9)6-16(19)20)15-3-2-4-23-15/h2-5,7H,6,8H2,1H3,(H,19,20)
InChIKeyMQRBLXBLXGUTSE-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.63
Rot. Bonds3

About 2-(8-methyl-6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid

2-(8-methyl-6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid (PubChem CID 18073411) has the molecular formula C17H13NO4S and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-(8-methyl-6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid.

Molecular Properties

Compound Name2-(8-methyl-6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid
PubChem CID18073411
Molecular FormulaC17H13NO4S
Molecular Weight327.36 g/mol
Exact Mass327.06
IUPAC Name2-(8-methyl-6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid
SMILESCc1c(CC(=O)O)c(-c2cccs2)nc2cc3c(cc12)OCO3
InChIInChI=1S/C17H13NO4S/c1-9-10-5-13-14(22-8-21-13)7-12(10)18-17(11(9)6-16(19)20)15-3-2-4-23-15/h2-5,7H,6,8H2,1H3,(H,19,20)
InChIKeyMQRBLXBLXGUTSE-UHFFFAOYSA-N
XLogP3.63
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(8-methyl-6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic 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

2-[6-(4-ethoxyphenyl)-8-methyl-[1,3]dioxolo[4,5-g]quinolin-7-yl]acetic acid
CID 18073417
2-[6-(2-methoxy-5-methylphenyl)-8-methyl-[1,3]dioxolo[4,5-g]quinolin-7-yl]acetic acid
CID 18073407
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-3-yl]acetic acid
CID 18073383
6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
CID 2458135
N-(1,3-benzodioxol-5-ylmethyl)-2,3-dithiophen-2-ylquinoxaline-6-carboxamide
CID 1329977
N-(1,3-benzodioxol-5-yl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
CID 39427750
benzyl 6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
CID 30333547
3,5,7-trimethyl-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 63463303
N-methyl-1-(1,2-oxazol-3-yl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]methanamine
CID 70762426
2,4-dimethyl-6-thiophen-2-ylpyrimidine-5-carboxylic acid
CID 82290615
2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-thiophen-2-ylquinoxaline
CID 10499889
2-(1-methyl-2-thiophen-2-ylbenzimidazol-5-yl)acetic acid
CID 82142028

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid?
The IUPAC name of 2-(8-methyl-6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid (CID 18073411) is 2-(8-methyl-6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid.
What is the SMILES notation for 2-(8-methyl-6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid?
The canonical SMILES for 2-(8-methyl-6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid is Cc1c(CC(=O)O)c(-c2cccs2)nc2cc3c(cc12)OCO3.
What is the InChIKey of 2-(8-methyl-6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid?
The InChIKey is MQRBLXBLXGUTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4S/c1-9-10-5-13-14(22-8-21-13)7-12(10)18-17(11(9)6-16(19)20)15-3-2-4-23-15/h2-5,7H,6,8H2,1H3,(H,19,20).
What are the key properties of 2-(8-methyl-6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid?
2-(8-methyl-6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid has a molecular weight of 327.36 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid is sourced from PubChem (CID 18073411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).