2-anilinoquinoline-4-carboxylic acid

C16H12N2O2 — CID 3075053

IUPAC2-anilinoquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(Nc2ccccc2)nc2ccccc12
InChIInChI=1S/C16H12N2O2/c19-16(20)13-10-15(17-11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14/h1-10H,(H,17,18)(H,19,20)
InChIKeyMPKDFVOXJKFNDS-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.68
Rot. Bonds3

About 2-anilinoquinoline-4-carboxylic acid

2-anilinoquinoline-4-carboxylic acid (PubChem CID 3075053) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-anilinoquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-anilinoquinoline-4-carboxylic acid
PubChem CID3075053
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name2-anilinoquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(Nc2ccccc2)nc2ccccc12
InChIInChI=1S/C16H12N2O2/c19-16(20)13-10-15(17-11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14/h1-10H,(H,17,18)(H,19,20)
InChIKeyMPKDFVOXJKFNDS-UHFFFAOYSA-N
XLogP3.68
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-anilinoquinoline-4-carboxylic acid?
The IUPAC name of 2-anilinoquinoline-4-carboxylic acid (CID 3075053) is 2-anilinoquinoline-4-carboxylic acid.
What is the SMILES notation for 2-anilinoquinoline-4-carboxylic acid?
The canonical SMILES for 2-anilinoquinoline-4-carboxylic acid is O=C(O)c1cc(Nc2ccccc2)nc2ccccc12.
What is the InChIKey of 2-anilinoquinoline-4-carboxylic acid?
The InChIKey is MPKDFVOXJKFNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-16(20)13-10-15(17-11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14/h1-10H,(H,17,18)(H,19,20).
What are the key properties of 2-anilinoquinoline-4-carboxylic acid?
2-anilinoquinoline-4-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinoquinoline-4-carboxylic acid is sourced from PubChem (CID 3075053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).