2-[2-[(2-oxoquinolin-1-yl)methyl]phenyl]acetic acid

C18H15NO3 — CID 22077317

IUPAC2-[2-[(2-oxoquinolin-1-yl)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1Cn1c(=O)ccc2ccccc21
InChIInChI=1S/C18H15NO3/c20-17-10-9-13-5-3-4-8-16(13)19(17)12-15-7-2-1-6-14(15)11-18(21)22/h1-10H,11-12H2,(H,21,22)
InChIKeyIKKDKQJIZNXQPM-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.68
Rot. Bonds4

About 2-[2-[(2-oxoquinolin-1-yl)methyl]phenyl]acetic acid

2-[2-[(2-oxoquinolin-1-yl)methyl]phenyl]acetic acid (PubChem CID 22077317) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[2-[(2-oxoquinolin-1-yl)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-oxoquinolin-1-yl)methyl]phenyl]acetic acid
PubChem CID22077317
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name2-[2-[(2-oxoquinolin-1-yl)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1Cn1c(=O)ccc2ccccc21
InChIInChI=1S/C18H15NO3/c20-17-10-9-13-5-3-4-8-16(13)19(17)12-15-7-2-1-6-14(15)11-18(21)22/h1-10H,11-12H2,(H,21,22)
InChIKeyIKKDKQJIZNXQPM-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-[2-[(2-oxoquinolin-1-yl)methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[(2-oxoquinolin-1-yl)methyl]phenyl]acetic acid (CID 22077317) is 2-[2-[(2-oxoquinolin-1-yl)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(2-oxoquinolin-1-yl)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(2-oxoquinolin-1-yl)methyl]phenyl]acetic acid is O=C(O)Cc1ccccc1Cn1c(=O)ccc2ccccc21.
What is the InChIKey of 2-[2-[(2-oxoquinolin-1-yl)methyl]phenyl]acetic acid?
The InChIKey is IKKDKQJIZNXQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c20-17-10-9-13-5-3-4-8-16(13)19(17)12-15-7-2-1-6-14(15)11-18(21)22/h1-10H,11-12H2,(H,21,22).
What are the key properties of 2-[2-[(2-oxoquinolin-1-yl)methyl]phenyl]acetic acid?
2-[2-[(2-oxoquinolin-1-yl)methyl]phenyl]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-[2-[(2-oxoquinolin-1-yl)methyl]phenyl]acetic acid is sourced from PubChem (CID 22077317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).