3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzoic acid

C16H16N2O3 — CID 81107427

IUPAC3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzoic acid
SMILESO=C(O)c1cccc(NC2CCCc3[nH]c(=O)ccc32)c1
InChIInChI=1S/C16H16N2O3/c19-15-8-7-12-13(5-2-6-14(12)18-15)17-11-4-1-3-10(9-11)16(20)21/h1,3-4,7-9,13,17H,2,5-6H2,(H,18,19)(H,20,21)
InChIKeyKHQNNHZQKBSIIM-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.56
Rot. Bonds3

About 3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzoic acid

3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzoic acid (PubChem CID 81107427) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzoic acid
PubChem CID81107427
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzoic acid
SMILESO=C(O)c1cccc(NC2CCCc3[nH]c(=O)ccc32)c1
InChIInChI=1S/C16H16N2O3/c19-15-8-7-12-13(5-2-6-14(12)18-15)17-11-4-1-3-10(9-11)16(20)21/h1,3-4,7-9,13,17H,2,5-6H2,(H,18,19)(H,20,21)
InChIKeyKHQNNHZQKBSIIM-UHFFFAOYSA-N
XLogP2.56
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzoic acid?
The IUPAC name of 3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzoic acid (CID 81107427) is 3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzoic acid.
What is the SMILES notation for 3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzoic acid?
The canonical SMILES for 3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzoic acid is O=C(O)c1cccc(NC2CCCc3[nH]c(=O)ccc32)c1.
What is the InChIKey of 3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzoic acid?
The InChIKey is KHQNNHZQKBSIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-15-8-7-12-13(5-2-6-14(12)18-15)17-11-4-1-3-10(9-11)16(20)21/h1,3-4,7-9,13,17H,2,5-6H2,(H,18,19)(H,20,21).
What are the key properties of 3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzoic acid?
3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzoic acid has a molecular weight of 284.31 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzoic acid is sourced from PubChem (CID 81107427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).