2-[3-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]phenyl]acetic acid

C22H16N2O3 — CID 168551369

IUPAC2-[3-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2ccc(-c3nc4ccccc4c(=O)[nH]3)cc2)c1
InChIInChI=1S/C22H16N2O3/c25-20(26)13-14-4-3-5-17(12-14)15-8-10-16(11-9-15)21-23-19-7-2-1-6-18(19)22(27)24-21/h1-12H,13H2,(H,25,26)(H,23,24,27)
InChIKeyFFJGBQXBKNGGBG-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.88
Rot. Bonds4

About 2-[3-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]phenyl]acetic acid

2-[3-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]phenyl]acetic acid (PubChem CID 168551369) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-[3-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]phenyl]acetic acid
PubChem CID168551369
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC Name2-[3-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2ccc(-c3nc4ccccc4c(=O)[nH]3)cc2)c1
InChIInChI=1S/C22H16N2O3/c25-20(26)13-14-4-3-5-17(12-14)15-8-10-16(11-9-15)21-23-19-7-2-1-6-18(19)22(27)24-21/h1-12H,13H2,(H,25,26)(H,23,24,27)
InChIKeyFFJGBQXBKNGGBG-UHFFFAOYSA-N
XLogP3.88
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3,5-dichlorophenyl)phenyl]-3H-quinazolin-4-one
CID 168551464
2-[3-(pyrazol-1-ylmethyl)phenyl]-3H-quinazolin-4-one
CID 168550950
2-(4-bromophenyl)-3H-quinazolin-4-one
CID 135421564
2-[2,6-dibromo-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid
CID 168553022
2-(2-chloro-4-phenylphenyl)-3H-quinazolin-4-one
CID 168551801
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
N-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide
CID 137125323
methyl 3-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]benzoate
CID 168552709
2-[3-[(dibutylamino)methyl]phenyl]-3H-quinazolin-4-one
CID 168551234
methyl 4-(4-oxo-3H-quinazolin-2-yl)benzoate
CID 135476431
3-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]prop-2-enoic acid
CID 168551832
2-[3-(2-methylquinolin-4-yl)phenyl]acetic acid
CID 155909496

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]phenyl]acetic acid?
The IUPAC name of 2-[3-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]phenyl]acetic acid (CID 168551369) is 2-[3-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]phenyl]acetic acid is O=C(O)Cc1cccc(-c2ccc(-c3nc4ccccc4c(=O)[nH]3)cc2)c1.
What is the InChIKey of 2-[3-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]phenyl]acetic acid?
The InChIKey is FFJGBQXBKNGGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3/c25-20(26)13-14-4-3-5-17(12-14)15-8-10-16(11-9-15)21-23-19-7-2-1-6-18(19)22(27)24-21/h1-12H,13H2,(H,25,26)(H,23,24,27).
What are the key properties of 2-[3-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]phenyl]acetic acid?
2-[3-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]phenyl]acetic acid has a molecular weight of 356.38 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]phenyl]acetic acid is sourced from PubChem (CID 168551369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).