5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid

C14H10N2O4 — CID 28824082

IUPAC5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2cnc3ccccc3c2=O)o1
InChIInChI=1S/C14H10N2O4/c17-13-10-3-1-2-4-11(10)15-8-16(13)7-9-5-6-12(20-9)14(18)19/h1-6,8H,7H2,(H,18,19)
InChIKeyGMMQKDJDTAGXMR-UHFFFAOYSA-N
MW270.24 g/mol
LogP1.74
Rot. Bonds3

About 5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid

5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid (PubChem CID 28824082) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid
PubChem CID28824082
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2cnc3ccccc3c2=O)o1
InChIInChI=1S/C14H10N2O4/c17-13-10-3-1-2-4-11(10)15-8-16(13)7-9-5-6-12(20-9)14(18)19/h1-6,8H,7H2,(H,18,19)
InChIKeyGMMQKDJDTAGXMR-UHFFFAOYSA-N
XLogP1.74
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic 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

3-methyl-5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid
CID 43620970
3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 852117
5-[(4-oxoquinazolin-3-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63577398
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
3-[(3-phenylphenyl)methyl]quinazolin-4-one
CID 121275766
3-[(2-phenylphenyl)methyl]quinazolin-4-one
CID 174752260
3-prop-2-ynylquinazolin-4-one
CID 603496
5-[[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-2-carboxylic acid
CID 28896327
3-methyl-1-[2-(4-oxoquinazolin-3-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 119257047
ethyl N-[4-[(4-oxoquinazolin-3-yl)methyl]phenyl]carbamate
CID 110179445
5-[(3-acetylindol-1-yl)methyl]furan-2-carboxylic acid
CID 117098458
3-[(4-propoxyphenyl)methyl]quinazolin-4-one
CID 75386785

Frequently Asked Questions

What is the IUPAC name of 5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid (CID 28824082) is 5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid is O=C(O)c1ccc(Cn2cnc3ccccc3c2=O)o1.
What is the InChIKey of 5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid?
The InChIKey is GMMQKDJDTAGXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c17-13-10-3-1-2-4-11(10)15-8-16(13)7-9-5-6-12(20-9)14(18)19/h1-6,8H,7H2,(H,18,19).
What are the key properties of 5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid?
5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid has a molecular weight of 270.24 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 28824082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).