2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-3-yl]acetic acid

C20H17NO4 — CID 18073383

IUPAC2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-3-yl]acetic acid
SMILESCc1c(CC(=O)O)c(-c2ccc3c(c2)OCCO3)nc2ccccc12
InChIInChI=1S/C20H17NO4/c1-12-14-4-2-3-5-16(14)21-20(15(12)11-19(22)23)13-6-7-17-18(10-13)25-9-8-24-17/h2-7,10H,8-9,11H2,1H3,(H,22,23)
InChIKeyQCECHAIWJGGYHZ-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.61
Rot. Bonds3

About 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-3-yl]acetic acid

2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-3-yl]acetic acid (PubChem CID 18073383) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-3-yl]acetic acid
PubChem CID18073383
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-3-yl]acetic acid
SMILESCc1c(CC(=O)O)c(-c2ccc3c(c2)OCCO3)nc2ccccc12
InChIInChI=1S/C20H17NO4/c1-12-14-4-2-3-5-16(14)21-20(15(12)11-19(22)23)13-6-7-17-18(10-13)25-9-8-24-17/h2-7,10H,8-9,11H2,1H3,(H,22,23)
InChIKeyQCECHAIWJGGYHZ-UHFFFAOYSA-N
XLogP3.61
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-fluorophenyl)-4-methylquinolin-3-yl]acetic acid
CID 18073377
2-[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]acetic acid
CID 91665266
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1H-imidazol-5-yl]acetic acid
CID 82306774
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinoline
CID 2620938
2-[6-(4-ethoxyphenyl)-8-methyl-[1,3]dioxolo[4,5-g]quinolin-7-yl]acetic acid
CID 18073417
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxofuro[3,2-c]chromen-3-yl]acetic acid
CID 125427913
2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carbonyl chloride
CID 46779784
2-(8-methyl-6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid
CID 18073411
1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(2,4-dimethylquinolin-3-yl)ethanone
CID 25369883
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 3308985
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 112794841
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6-methyl-2-pyridinyl)quinazoline
CID 67702021

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-3-yl]acetic acid?
The IUPAC name of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-3-yl]acetic acid (CID 18073383) is 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-3-yl]acetic acid?
The canonical SMILES for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-3-yl]acetic acid is Cc1c(CC(=O)O)c(-c2ccc3c(c2)OCCO3)nc2ccccc12.
What is the InChIKey of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-3-yl]acetic acid?
The InChIKey is QCECHAIWJGGYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-12-14-4-2-3-5-16(14)21-20(15(12)11-19(22)23)13-6-7-17-18(10-13)25-9-8-24-17/h2-7,10H,8-9,11H2,1H3,(H,22,23).
What are the key properties of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-3-yl]acetic acid?
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-3-yl]acetic acid has a molecular weight of 335.36 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-3-yl]acetic acid is sourced from PubChem (CID 18073383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).