2-[4-oxo-2-(2-phenylethyl)quinazolin-1-yl]acetic acid

C18H16N2O3 — CID 58788257

IUPAC2-[4-oxo-2-(2-phenylethyl)quinazolin-1-yl]acetic acid
SMILESO=C(O)Cn1c(CCc2ccccc2)nc(=O)c2ccccc21
InChIInChI=1S/C18H16N2O3/c21-17(22)12-20-15-9-5-4-8-14(15)18(23)19-16(20)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,21,22)
InChIKeyNRKRJVJCICQZSL-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.27
Rot. Bonds5

About 2-[4-oxo-2-(2-phenylethyl)quinazolin-1-yl]acetic acid

2-[4-oxo-2-(2-phenylethyl)quinazolin-1-yl]acetic acid (PubChem CID 58788257) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-[4-oxo-2-(2-phenylethyl)quinazolin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-oxo-2-(2-phenylethyl)quinazolin-1-yl]acetic acid
PubChem CID58788257
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-[4-oxo-2-(2-phenylethyl)quinazolin-1-yl]acetic acid
SMILESO=C(O)Cn1c(CCc2ccccc2)nc(=O)c2ccccc21
InChIInChI=1S/C18H16N2O3/c21-17(22)12-20-15-9-5-4-8-14(15)18(23)19-16(20)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,21,22)
InChIKeyNRKRJVJCICQZSL-UHFFFAOYSA-N
XLogP2.27
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinazolin-1-yl]acetic acid
CID 58788366
2-[5,6-dimethyl-2-(2-phenylethyl)benzimidazol-1-yl]acetic acid
CID 94748100
2-[4-methyl-9-oxo-3-(2-phenylethyl)acridin-10-yl]acetic acid
CID 138658257
3-[2-(2-phenylethyl)benzimidazol-1-yl]propanoic acid
CID 82144764
2-[6-methyl-4-oxo-2-[2-(2,3,4-trifluorophenyl)ethyl]quinazolin-1-yl]acetic acid
CID 58733230
2-[2-(2-phenylethyl)benzimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 17031686
2-[3-[2-[methanethioyl(2-phenylethyl)amino]ethyl]-2-methylindol-1-yl]acetic acid
CID 143820974
2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinolin-1-yl]acetic acid
CID 23614321
2-(2,10,12-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-10-yl)acetic acid
CID 22562352
1-(2-phenylethyl)-3-(2-sulfanylethyl)indole-2-carboxylic acid
CID 58763431
2-(2-oxo-4-phenylquinolin-1-yl)acetic acid
CID 13180338
2-[3-amino-2-oxo-6-(2-phenylethyl)-1-pyridinyl]acetic acid
CID 18469037

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-2-(2-phenylethyl)quinazolin-1-yl]acetic acid?
The IUPAC name of 2-[4-oxo-2-(2-phenylethyl)quinazolin-1-yl]acetic acid (CID 58788257) is 2-[4-oxo-2-(2-phenylethyl)quinazolin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-oxo-2-(2-phenylethyl)quinazolin-1-yl]acetic acid?
The canonical SMILES for 2-[4-oxo-2-(2-phenylethyl)quinazolin-1-yl]acetic acid is O=C(O)Cn1c(CCc2ccccc2)nc(=O)c2ccccc21.
What is the InChIKey of 2-[4-oxo-2-(2-phenylethyl)quinazolin-1-yl]acetic acid?
The InChIKey is NRKRJVJCICQZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-17(22)12-20-15-9-5-4-8-14(15)18(23)19-16(20)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,21,22).
What are the key properties of 2-[4-oxo-2-(2-phenylethyl)quinazolin-1-yl]acetic acid?
2-[4-oxo-2-(2-phenylethyl)quinazolin-1-yl]acetic acid has a molecular weight of 308.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-2-(2-phenylethyl)quinazolin-1-yl]acetic acid is sourced from PubChem (CID 58788257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).