2-[4-(3,5-dichloroanilino)quinolin-2-yl]acetic acid

C17H12Cl2N2O2 — CID 110435504

IUPAC2-[4-(3,5-dichloroanilino)quinolin-2-yl]acetic acid
SMILESO=C(O)Cc1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2n1
InChIInChI=1S/C17H12Cl2N2O2/c18-10-5-11(19)7-12(6-10)21-16-8-13(9-17(22)23)20-15-4-2-1-3-14(15)16/h1-8H,9H2,(H,20,21)(H,22,23)
InChIKeyFBJYCFAOOGEKTF-UHFFFAOYSA-N
MW347.20 g/mol
LogP4.91
Rot. Bonds4

About 2-[4-(3,5-dichloroanilino)quinolin-2-yl]acetic acid

2-[4-(3,5-dichloroanilino)quinolin-2-yl]acetic acid (PubChem CID 110435504) has the molecular formula C17H12Cl2N2O2 and a molecular weight of 347.20 g/mol. Its IUPAC name is 2-[4-(3,5-dichloroanilino)quinolin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3,5-dichloroanilino)quinolin-2-yl]acetic acid
PubChem CID110435504
Molecular FormulaC17H12Cl2N2O2
Molecular Weight347.20 g/mol
Exact Mass346.03
IUPAC Name2-[4-(3,5-dichloroanilino)quinolin-2-yl]acetic acid
SMILESO=C(O)Cc1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2n1
InChIInChI=1S/C17H12Cl2N2O2/c18-10-5-11(19)7-12(6-10)21-16-8-13(9-17(22)23)20-15-4-2-1-3-14(15)16/h1-8H,9H2,(H,20,21)(H,22,23)
InChIKeyFBJYCFAOOGEKTF-UHFFFAOYSA-N
XLogP4.91
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dichloroanilino)quinolin-2-yl]acetic acid?
The IUPAC name of 2-[4-(3,5-dichloroanilino)quinolin-2-yl]acetic acid (CID 110435504) is 2-[4-(3,5-dichloroanilino)quinolin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(3,5-dichloroanilino)quinolin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(3,5-dichloroanilino)quinolin-2-yl]acetic acid is O=C(O)Cc1cc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2n1.
What is the InChIKey of 2-[4-(3,5-dichloroanilino)quinolin-2-yl]acetic acid?
The InChIKey is FBJYCFAOOGEKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2/c18-10-5-11(19)7-12(6-10)21-16-8-13(9-17(22)23)20-15-4-2-1-3-14(15)16/h1-8H,9H2,(H,20,21)(H,22,23).
What are the key properties of 2-[4-(3,5-dichloroanilino)quinolin-2-yl]acetic acid?
2-[4-(3,5-dichloroanilino)quinolin-2-yl]acetic acid has a molecular weight of 347.20 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dichloroanilino)quinolin-2-yl]acetic acid is sourced from PubChem (CID 110435504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).