2-[4-(3,4-dimethoxyanilino)quinolin-2-yl]acetic acid

C19H18N2O4 — CID 110435485

IUPAC2-[4-(3,4-dimethoxyanilino)quinolin-2-yl]acetic acid
SMILESCOc1ccc(Nc2cc(CC(=O)O)nc3ccccc23)cc1OC
InChIInChI=1S/C19H18N2O4/c1-24-17-8-7-12(10-18(17)25-2)20-16-9-13(11-19(22)23)21-15-6-4-3-5-14(15)16/h3-10H,11H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyZLEMNCZEMPICCX-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.62
Rot. Bonds6

About 2-[4-(3,4-dimethoxyanilino)quinolin-2-yl]acetic acid

2-[4-(3,4-dimethoxyanilino)quinolin-2-yl]acetic acid (PubChem CID 110435485) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-[4-(3,4-dimethoxyanilino)quinolin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3,4-dimethoxyanilino)quinolin-2-yl]acetic acid
PubChem CID110435485
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name2-[4-(3,4-dimethoxyanilino)quinolin-2-yl]acetic acid
SMILESCOc1ccc(Nc2cc(CC(=O)O)nc3ccccc23)cc1OC
InChIInChI=1S/C19H18N2O4/c1-24-17-8-7-12(10-18(17)25-2)20-16-9-13(11-19(22)23)21-15-6-4-3-5-14(15)16/h3-10H,11H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyZLEMNCZEMPICCX-UHFFFAOYSA-N
XLogP3.62
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethoxyanilino)quinolin-2-yl]acetic acid?
The IUPAC name of 2-[4-(3,4-dimethoxyanilino)quinolin-2-yl]acetic acid (CID 110435485) is 2-[4-(3,4-dimethoxyanilino)quinolin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(3,4-dimethoxyanilino)quinolin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(3,4-dimethoxyanilino)quinolin-2-yl]acetic acid is COc1ccc(Nc2cc(CC(=O)O)nc3ccccc23)cc1OC.
What is the InChIKey of 2-[4-(3,4-dimethoxyanilino)quinolin-2-yl]acetic acid?
The InChIKey is ZLEMNCZEMPICCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-24-17-8-7-12(10-18(17)25-2)20-16-9-13(11-19(22)23)21-15-6-4-3-5-14(15)16/h3-10H,11H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-[4-(3,4-dimethoxyanilino)quinolin-2-yl]acetic acid?
2-[4-(3,4-dimethoxyanilino)quinolin-2-yl]acetic acid has a molecular weight of 338.36 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethoxyanilino)quinolin-2-yl]acetic acid is sourced from PubChem (CID 110435485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).