2-(1-benzyl-4-oxoquinolin-3-yl)acetic acid

C18H15NO3 — CID 45275194

IUPAC2-(1-benzyl-4-oxoquinolin-3-yl)acetic acid
SMILESO=C(O)Cc1cn(Cc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C18H15NO3/c20-17(21)10-14-12-19(11-13-6-2-1-3-7-13)16-9-5-4-8-15(16)18(14)22/h1-9,12H,10-11H2,(H,20,21)
InChIKeyRIVLAHLASQPZLC-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.68
Rot. Bonds4

About 2-(1-benzyl-4-oxoquinolin-3-yl)acetic acid

2-(1-benzyl-4-oxoquinolin-3-yl)acetic acid (PubChem CID 45275194) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-(1-benzyl-4-oxoquinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-benzyl-4-oxoquinolin-3-yl)acetic acid
PubChem CID45275194
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name2-(1-benzyl-4-oxoquinolin-3-yl)acetic acid
SMILESO=C(O)Cc1cn(Cc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C18H15NO3/c20-17(21)10-14-12-19(11-13-6-2-1-3-7-13)16-9-5-4-8-15(16)18(14)22/h1-9,12H,10-11H2,(H,20,21)
InChIKeyRIVLAHLASQPZLC-UHFFFAOYSA-N
XLogP2.68
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-4-oxoquinolin-3-yl)acetic acid?
The IUPAC name of 2-(1-benzyl-4-oxoquinolin-3-yl)acetic acid (CID 45275194) is 2-(1-benzyl-4-oxoquinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-benzyl-4-oxoquinolin-3-yl)acetic acid?
The canonical SMILES for 2-(1-benzyl-4-oxoquinolin-3-yl)acetic acid is O=C(O)Cc1cn(Cc2ccccc2)c2ccccc2c1=O.
What is the InChIKey of 2-(1-benzyl-4-oxoquinolin-3-yl)acetic acid?
The InChIKey is RIVLAHLASQPZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c20-17(21)10-14-12-19(11-13-6-2-1-3-7-13)16-9-5-4-8-15(16)18(14)22/h1-9,12H,10-11H2,(H,20,21).
What are the key properties of 2-(1-benzyl-4-oxoquinolin-3-yl)acetic acid?
2-(1-benzyl-4-oxoquinolin-3-yl)acetic acid has a molecular weight of 293.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-4-oxoquinolin-3-yl)acetic acid is sourced from PubChem (CID 45275194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).