5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylic acid

C20H14N2O5 — CID 168552349

IUPAC5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(COc2ccccc2-c2nc3ccccc3c(=O)[nH]2)o1
InChIInChI=1S/C20H14N2O5/c23-19-13-5-1-3-7-15(13)21-18(22-19)14-6-2-4-8-16(14)26-11-12-9-10-17(27-12)20(24)25/h1-10H,11H2,(H,24,25)(H,21,22,23)
InChIKeyJFWAUACDGUVKFY-UHFFFAOYSA-N
MW362.34 g/mol
LogP3.46
Rot. Bonds5

About 5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylic acid

5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylic acid (PubChem CID 168552349) has the molecular formula C20H14N2O5 and a molecular weight of 362.34 g/mol. Its IUPAC name is 5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylic acid
PubChem CID168552349
Molecular FormulaC20H14N2O5
Molecular Weight362.34 g/mol
Exact Mass362.09
IUPAC Name5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(COc2ccccc2-c2nc3ccccc3c(=O)[nH]2)o1
InChIInChI=1S/C20H14N2O5/c23-19-13-5-1-3-7-15(13)21-18(22-19)14-6-2-4-8-16(14)26-11-12-9-10-17(27-12)20(24)25/h1-10H,11H2,(H,24,25)(H,21,22,23)
InChIKeyJFWAUACDGUVKFY-UHFFFAOYSA-N
XLogP3.46
TPSA105.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylate
CID 168551557
2-[2-[(4-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551636
2-[2-(2,2-difluoroethoxy)phenyl]-3H-quinazolin-4-one
CID 168552669
2-[2-[(3-methoxyphenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551873
2-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-3H-quinazolin-4-one
CID 168552796
N-(4-methylphenyl)-2-[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 168552578
5-[(2-iodophenoxy)methyl]furan-2-carboxylic acid
CID 43479555
5-[[3-(1H-benzimidazol-2-yl)phenoxy]methyl]furan-2-carboxylic acid
CID 168554863
2-(2-butan-2-yloxyphenyl)-3H-quinazolin-4-one
CID 168552014
methyl 1-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]pyrazole-3-carboxylate
CID 168552596
2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551891
5-[(2-acetylphenoxy)methyl]furan-2-carboxylic acid
CID 4683142

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylic acid (CID 168552349) is 5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylic acid is O=C(O)c1ccc(COc2ccccc2-c2nc3ccccc3c(=O)[nH]2)o1.
What is the InChIKey of 5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylic acid?
The InChIKey is JFWAUACDGUVKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O5/c23-19-13-5-1-3-7-15(13)21-18(22-19)14-6-2-4-8-16(14)26-11-12-9-10-17(27-12)20(24)25/h1-10H,11H2,(H,24,25)(H,21,22,23).
What are the key properties of 5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylic acid?
5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylic acid has a molecular weight of 362.34 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 168552349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).