2-[(7-hydroxy-3,6-diphenylquinoline-8-carbonyl)amino]acetic acid

C24H18N2O4 — CID 135896331

IUPAC2-[(7-hydroxy-3,6-diphenylquinoline-8-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c(-c2ccccc2)cc2cc(-c3ccccc3)cnc12
InChIInChI=1S/C24H18N2O4/c27-20(28)14-26-24(30)21-22-17(11-18(13-25-22)15-7-3-1-4-8-15)12-19(23(21)29)16-9-5-2-6-10-16/h1-13,29H,14H2,(H,26,30)(H,27,28)
InChIKeyCAXVKRHNQQNMSU-UHFFFAOYSA-N
MW398.42 g/mol
LogP4.09
Rot. Bonds5

About 2-[(7-hydroxy-3,6-diphenylquinoline-8-carbonyl)amino]acetic acid

2-[(7-hydroxy-3,6-diphenylquinoline-8-carbonyl)amino]acetic acid (PubChem CID 135896331) has the molecular formula C24H18N2O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is 2-[(7-hydroxy-3,6-diphenylquinoline-8-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(7-hydroxy-3,6-diphenylquinoline-8-carbonyl)amino]acetic acid
PubChem CID135896331
Molecular FormulaC24H18N2O4
Molecular Weight398.42 g/mol
Exact Mass398.13
IUPAC Name2-[(7-hydroxy-3,6-diphenylquinoline-8-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c(-c2ccccc2)cc2cc(-c3ccccc3)cnc12
InChIInChI=1S/C24H18N2O4/c27-20(28)14-26-24(30)21-22-17(11-18(13-25-22)15-7-3-1-4-8-15)12-19(23(21)29)16-9-5-2-6-10-16/h1-13,29H,14H2,(H,26,30)(H,27,28)
InChIKeyCAXVKRHNQQNMSU-UHFFFAOYSA-N
XLogP4.09
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-hydroxy-3,6-diphenylquinoline-8-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(7-hydroxy-3,6-diphenylquinoline-8-carbonyl)amino]acetic acid (CID 135896331) is 2-[(7-hydroxy-3,6-diphenylquinoline-8-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(7-hydroxy-3,6-diphenylquinoline-8-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(7-hydroxy-3,6-diphenylquinoline-8-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1c(O)c(-c2ccccc2)cc2cc(-c3ccccc3)cnc12.
What is the InChIKey of 2-[(7-hydroxy-3,6-diphenylquinoline-8-carbonyl)amino]acetic acid?
The InChIKey is CAXVKRHNQQNMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4/c27-20(28)14-26-24(30)21-22-17(11-18(13-25-22)15-7-3-1-4-8-15)12-19(23(21)29)16-9-5-2-6-10-16/h1-13,29H,14H2,(H,26,30)(H,27,28).
What are the key properties of 2-[(7-hydroxy-3,6-diphenylquinoline-8-carbonyl)amino]acetic acid?
2-[(7-hydroxy-3,6-diphenylquinoline-8-carbonyl)amino]acetic acid has a molecular weight of 398.42 g/mol, XLogP of 4.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-hydroxy-3,6-diphenylquinoline-8-carbonyl)amino]acetic acid is sourced from PubChem (CID 135896331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).