2-(3-quinazolin-4-yloxyphenyl)acetic acid

C16H12N2O3 — CID 61398015

IUPAC2-(3-quinazolin-4-yloxyphenyl)acetic acid
SMILESO=C(O)Cc1cccc(Oc2ncnc3ccccc23)c1
InChIInChI=1S/C16H12N2O3/c19-15(20)9-11-4-3-5-12(8-11)21-16-13-6-1-2-7-14(13)17-10-18-16/h1-8,10H,9H2,(H,19,20)
InChIKeyVBHJDKHGHCYMEU-UHFFFAOYSA-N
MW280.28 g/mol
LogP3.05
Rot. Bonds4

About 2-(3-quinazolin-4-yloxyphenyl)acetic acid

2-(3-quinazolin-4-yloxyphenyl)acetic acid (PubChem CID 61398015) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-(3-quinazolin-4-yloxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-quinazolin-4-yloxyphenyl)acetic acid
PubChem CID61398015
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name2-(3-quinazolin-4-yloxyphenyl)acetic acid
SMILESO=C(O)Cc1cccc(Oc2ncnc3ccccc23)c1
InChIInChI=1S/C16H12N2O3/c19-15(20)9-11-4-3-5-12(8-11)21-16-13-6-1-2-7-14(13)17-10-18-16/h1-8,10H,9H2,(H,19,20)
InChIKeyVBHJDKHGHCYMEU-UHFFFAOYSA-N
XLogP3.05
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-quinazolin-4-yloxyphenyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-quinazolin-4-yloxybenzoic acid
CID 61395638
2-[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetic acid
CID 61398001
ethyl N-(3-quinazolin-4-yloxyphenyl)carbamate
CID 31538412
2-[3-(5-fluoropyrimidin-2-yl)oxyphenyl]acetic acid
CID 104606526
4-naphthalen-2-yloxyquinazoline
CID 31538161
2-[3-(6-ethylpyrimidin-4-yl)oxyphenyl]acetic acid
CID 61398539
2-(3-trimethylsilyloxyphenyl)acetic acid
CID 167737399
4-quinoxalin-6-yloxyquinazoline
CID 133406622
2-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]acetic acid
CID 61398083
2-[3-(3-methoxyphenoxy)phenyl]acetic acid
CID 19421788
2-quinazolin-4-yloxybenzoic acid
CID 61395473
2-[3-(bromomethoxy)phenyl]acetic acid
CID 151200250

Frequently Asked Questions

What is the IUPAC name of 2-(3-quinazolin-4-yloxyphenyl)acetic acid?
The IUPAC name of 2-(3-quinazolin-4-yloxyphenyl)acetic acid (CID 61398015) is 2-(3-quinazolin-4-yloxyphenyl)acetic acid.
What is the SMILES notation for 2-(3-quinazolin-4-yloxyphenyl)acetic acid?
The canonical SMILES for 2-(3-quinazolin-4-yloxyphenyl)acetic acid is O=C(O)Cc1cccc(Oc2ncnc3ccccc23)c1.
What is the InChIKey of 2-(3-quinazolin-4-yloxyphenyl)acetic acid?
The InChIKey is VBHJDKHGHCYMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-15(20)9-11-4-3-5-12(8-11)21-16-13-6-1-2-7-14(13)17-10-18-16/h1-8,10H,9H2,(H,19,20).
What are the key properties of 2-(3-quinazolin-4-yloxyphenyl)acetic acid?
2-(3-quinazolin-4-yloxyphenyl)acetic acid has a molecular weight of 280.28 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-quinazolin-4-yloxyphenyl)acetic acid is sourced from PubChem (CID 61398015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).