2-[(7-hydroxy-3-phenylquinoline-8-carbonyl)amino]acetic acid

C18H14N2O4 — CID 135896320

IUPAC2-[(7-hydroxy-3-phenylquinoline-8-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)ccc2cc(-c3ccccc3)cnc12
InChIInChI=1S/C18H14N2O4/c21-14-7-6-12-8-13(11-4-2-1-3-5-11)9-19-17(12)16(14)18(24)20-10-15(22)23/h1-9,21H,10H2,(H,20,24)(H,22,23)
InChIKeyRDBDVTSVIUFUID-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.42
Rot. Bonds4

About 2-[(7-hydroxy-3-phenylquinoline-8-carbonyl)amino]acetic acid

2-[(7-hydroxy-3-phenylquinoline-8-carbonyl)amino]acetic acid (PubChem CID 135896320) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is 2-[(7-hydroxy-3-phenylquinoline-8-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(7-hydroxy-3-phenylquinoline-8-carbonyl)amino]acetic acid
PubChem CID135896320
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name2-[(7-hydroxy-3-phenylquinoline-8-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)ccc2cc(-c3ccccc3)cnc12
InChIInChI=1S/C18H14N2O4/c21-14-7-6-12-8-13(11-4-2-1-3-5-11)9-19-17(12)16(14)18(24)20-10-15(22)23/h1-9,21H,10H2,(H,20,24)(H,22,23)
InChIKeyRDBDVTSVIUFUID-UHFFFAOYSA-N
XLogP2.42
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.42
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-phenylquinoline-8-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(7-hydroxy-3-phenylquinoline-8-carbonyl)amino]acetic acid (CID 135896320) is 2-[(7-hydroxy-3-phenylquinoline-8-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(7-hydroxy-3-phenylquinoline-8-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(7-hydroxy-3-phenylquinoline-8-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1c(O)ccc2cc(-c3ccccc3)cnc12.
What is the InChIKey of 2-[(7-hydroxy-3-phenylquinoline-8-carbonyl)amino]acetic acid?
The InChIKey is RDBDVTSVIUFUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c21-14-7-6-12-8-13(11-4-2-1-3-5-11)9-19-17(12)16(14)18(24)20-10-15(22)23/h1-9,21H,10H2,(H,20,24)(H,22,23).
What are the key properties of 2-[(7-hydroxy-3-phenylquinoline-8-carbonyl)amino]acetic acid?
2-[(7-hydroxy-3-phenylquinoline-8-carbonyl)amino]acetic acid has a molecular weight of 322.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-hydroxy-3-phenylquinoline-8-carbonyl)amino]acetic acid is sourced from PubChem (CID 135896320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).