2-[4-(quinolin-2-ylamino)phenyl]acetic acid

C17H14N2O2 — CID 13054260

IUPAC2-[4-(quinolin-2-ylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Nc2ccc3ccccc3n2)cc1
InChIInChI=1S/C17H14N2O2/c20-17(21)11-12-5-8-14(9-6-12)18-16-10-7-13-3-1-2-4-15(13)19-16/h1-10H,11H2,(H,18,19)(H,20,21)
InChIKeyYMQUAIRSACCPHQ-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.61
Rot. Bonds4

About 2-[4-(quinolin-2-ylamino)phenyl]acetic acid

2-[4-(quinolin-2-ylamino)phenyl]acetic acid (PubChem CID 13054260) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[4-(quinolin-2-ylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(quinolin-2-ylamino)phenyl]acetic acid
PubChem CID13054260
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-[4-(quinolin-2-ylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Nc2ccc3ccccc3n2)cc1
InChIInChI=1S/C17H14N2O2/c20-17(21)11-12-5-8-14(9-6-12)18-16-10-7-13-3-1-2-4-15(13)19-16/h1-10H,11H2,(H,18,19)(H,20,21)
InChIKeyYMQUAIRSACCPHQ-UHFFFAOYSA-N
XLogP3.61
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(quinolin-2-ylamino)phenyl]acetic acid?
The IUPAC name of 2-[4-(quinolin-2-ylamino)phenyl]acetic acid (CID 13054260) is 2-[4-(quinolin-2-ylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(quinolin-2-ylamino)phenyl]acetic acid?
The canonical SMILES for 2-[4-(quinolin-2-ylamino)phenyl]acetic acid is O=C(O)Cc1ccc(Nc2ccc3ccccc3n2)cc1.
What is the InChIKey of 2-[4-(quinolin-2-ylamino)phenyl]acetic acid?
The InChIKey is YMQUAIRSACCPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-17(21)11-12-5-8-14(9-6-12)18-16-10-7-13-3-1-2-4-15(13)19-16/h1-10H,11H2,(H,18,19)(H,20,21).
What are the key properties of 2-[4-(quinolin-2-ylamino)phenyl]acetic acid?
2-[4-(quinolin-2-ylamino)phenyl]acetic acid has a molecular weight of 278.31 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(quinolin-2-ylamino)phenyl]acetic acid is sourced from PubChem (CID 13054260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).