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

C19H16ClNO5 — CID 47006423

IUPAC2-[4-(8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)phenoxy]acetic acid;hydrochloride
SMILESCc1cc(-c2ccc(OCC(=O)O)cc2)nc2cc3c(cc12)OCO3.Cl
InChIInChI=1S/C19H15NO5.ClH/c1-11-6-15(12-2-4-13(5-3-12)23-9-19(21)22)20-16-8-18-17(7-14(11)16)24-10-25-18;/h2-8H,9-10H2,1H3,(H,21,22);1H
InChIKeyOHIGOVQMRILWIM-UHFFFAOYSA-N
MW373.79 g/mol
LogP3.82
Rot. Bonds4

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

2-[4-(8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)phenoxy]acetic acid;hydrochloride (PubChem CID 47006423) has the molecular formula C19H16ClNO5 and a molecular weight of 373.79 g/mol. Its IUPAC name is 2-[4-(8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)phenoxy]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[4-(8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)phenoxy]acetic acid;hydrochloride
PubChem CID47006423
Molecular FormulaC19H16ClNO5
Molecular Weight373.79 g/mol
Exact Mass373.07
IUPAC Name2-[4-(8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)phenoxy]acetic acid;hydrochloride
SMILESCc1cc(-c2ccc(OCC(=O)O)cc2)nc2cc3c(cc12)OCO3.Cl
InChIInChI=1S/C19H15NO5.ClH/c1-11-6-15(12-2-4-13(5-3-12)23-9-19(21)22)20-16-8-18-17(7-14(11)16)24-10-25-18;/h2-8H,9-10H2,1H3,(H,21,22);1H
InChIKeyOHIGOVQMRILWIM-UHFFFAOYSA-N
XLogP3.82
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.79
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)phenoxy]acetic acid;hydrochloride with MolForge

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Related Compounds

6-(4-ethoxyphenyl)-8-methyl-[1,3]dioxolo[4,5-g]quinoline;hydrochloride
CID 42997566
4-(8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)benzonitrile;hydrochloride
CID 42997555
4-(8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)benzonitrile
CID 30333496
2-[6-(4-ethoxyphenyl)-8-methyl-[1,3]dioxolo[4,5-g]quinolin-7-yl]acetic acid
CID 18073417
8-(4-ethoxyphenyl)-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid
CID 18073739
2-(2,4-dimethylquinolin-6-yl)oxyacetic acid
CID 82580332
4-[4-(4-methylquinolin-2-yl)phenoxy]butanoic acid
CID 17466697
8-(4-methoxyphenyl)-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid
CID 18073731
2-[4-[7-(hydroxymethyl)-4-methylquinolin-2-yl]phenoxy]-1-piperidin-1-ylethanone
CID 170511844
2-[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]acetic acid
CID 91665266
(4S)-4-ethyl-N-[4-(8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 2463973
methyl N-[2-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylquinolin-7-yl]carbamate
CID 169421328

Frequently Asked Questions

What is the IUPAC name of 2-[4-(8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)phenoxy]acetic acid;hydrochloride?
The IUPAC name of 2-[4-(8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)phenoxy]acetic acid;hydrochloride (CID 47006423) is 2-[4-(8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)phenoxy]acetic acid;hydrochloride.
What is the SMILES notation for 2-[4-(8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)phenoxy]acetic acid;hydrochloride?
The canonical SMILES for 2-[4-(8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)phenoxy]acetic acid;hydrochloride is Cc1cc(-c2ccc(OCC(=O)O)cc2)nc2cc3c(cc12)OCO3.Cl.
What is the InChIKey of 2-[4-(8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)phenoxy]acetic acid;hydrochloride?
The InChIKey is OHIGOVQMRILWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5.ClH/c1-11-6-15(12-2-4-13(5-3-12)23-9-19(21)22)20-16-8-18-17(7-14(11)16)24-10-25-18;/h2-8H,9-10H2,1H3,(H,21,22);1H.
What are the key properties of 2-[4-(8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)phenoxy]acetic acid;hydrochloride?
2-[4-(8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)phenoxy]acetic acid;hydrochloride has a molecular weight of 373.79 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)phenoxy]acetic acid;hydrochloride is sourced from PubChem (CID 47006423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).