2-[6,9-dimethyl-8-(4-methylphenyl)furo[2,3-c]quinolin-7-yl]acetic acid

C22H19NO3 — CID 146208023

IUPAC2-[6,9-dimethyl-8-(4-methylphenyl)furo[2,3-c]quinolin-7-yl]acetic acid
SMILESCc1ccc(-c2c(CC(=O)O)c(C)c3ncc4occc4c3c2C)cc1
InChIInChI=1S/C22H19NO3/c1-12-4-6-15(7-5-12)20-14(3)21-16-8-9-26-18(16)11-23-22(21)13(2)17(20)10-19(24)25/h4-9,11H,10H2,1-3H3,(H,24,25)
InChIKeyYWFZUTOSDQUDMH-UHFFFAOYSA-N
MW345.40 g/mol
LogP5.20
Rot. Bonds3

About 2-[6,9-dimethyl-8-(4-methylphenyl)furo[2,3-c]quinolin-7-yl]acetic acid

2-[6,9-dimethyl-8-(4-methylphenyl)furo[2,3-c]quinolin-7-yl]acetic acid (PubChem CID 146208023) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[6,9-dimethyl-8-(4-methylphenyl)furo[2,3-c]quinolin-7-yl]acetic acid.

Molecular Properties

Compound Name2-[6,9-dimethyl-8-(4-methylphenyl)furo[2,3-c]quinolin-7-yl]acetic acid
PubChem CID146208023
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name2-[6,9-dimethyl-8-(4-methylphenyl)furo[2,3-c]quinolin-7-yl]acetic acid
SMILESCc1ccc(-c2c(CC(=O)O)c(C)c3ncc4occc4c3c2C)cc1
InChIInChI=1S/C22H19NO3/c1-12-4-6-15(7-5-12)20-14(3)21-16-8-9-26-18(16)11-23-22(21)13(2)17(20)10-19(24)25/h4-9,11H,10H2,1-3H3,(H,24,25)
InChIKeyYWFZUTOSDQUDMH-UHFFFAOYSA-N
XLogP5.20
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.40
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6,9-dimethyl-8-(4-methylphenyl)furo[2,3-c]quinolin-7-yl]acetic acid?
The IUPAC name of 2-[6,9-dimethyl-8-(4-methylphenyl)furo[2,3-c]quinolin-7-yl]acetic acid (CID 146208023) is 2-[6,9-dimethyl-8-(4-methylphenyl)furo[2,3-c]quinolin-7-yl]acetic acid.
What is the SMILES notation for 2-[6,9-dimethyl-8-(4-methylphenyl)furo[2,3-c]quinolin-7-yl]acetic acid?
The canonical SMILES for 2-[6,9-dimethyl-8-(4-methylphenyl)furo[2,3-c]quinolin-7-yl]acetic acid is Cc1ccc(-c2c(CC(=O)O)c(C)c3ncc4occc4c3c2C)cc1.
What is the InChIKey of 2-[6,9-dimethyl-8-(4-methylphenyl)furo[2,3-c]quinolin-7-yl]acetic acid?
The InChIKey is YWFZUTOSDQUDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-12-4-6-15(7-5-12)20-14(3)21-16-8-9-26-18(16)11-23-22(21)13(2)17(20)10-19(24)25/h4-9,11H,10H2,1-3H3,(H,24,25).
What are the key properties of 2-[6,9-dimethyl-8-(4-methylphenyl)furo[2,3-c]quinolin-7-yl]acetic acid?
2-[6,9-dimethyl-8-(4-methylphenyl)furo[2,3-c]quinolin-7-yl]acetic acid has a molecular weight of 345.40 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,9-dimethyl-8-(4-methylphenyl)furo[2,3-c]quinolin-7-yl]acetic acid is sourced from PubChem (CID 146208023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).