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

C15H12N2O4 — CID 43620970

IUPAC3-methyl-5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid
SMILESCc1cc(Cn2cnc3ccccc3c2=O)oc1C(=O)O
InChIInChI=1S/C15H12N2O4/c1-9-6-10(21-13(9)15(19)20)7-17-8-16-12-5-3-2-4-11(12)14(17)18/h2-6,8H,7H2,1H3,(H,19,20)
InChIKeySQUSOAGLCSIIFB-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.04
Rot. Bonds3

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

3-methyl-5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid (PubChem CID 43620970) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 3-methyl-5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid
PubChem CID43620970
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name3-methyl-5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid
SMILESCc1cc(Cn2cnc3ccccc3c2=O)oc1C(=O)O
InChIInChI=1S/C15H12N2O4/c1-9-6-10(21-13(9)15(19)20)7-17-8-16-12-5-3-2-4-11(12)14(17)18/h2-6,8H,7H2,1H3,(H,19,20)
InChIKeySQUSOAGLCSIIFB-UHFFFAOYSA-N
XLogP2.04
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid
CID 28824082
3-methyl-5-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid
CID 102685310
5-[(4-oxoquinazolin-3-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63577398
3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 852117
3-[2-(3,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one
CID 932622
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
3-[(3-phenylphenyl)methyl]quinazolin-4-one
CID 121275766
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 3533504
3-(2,2-dihydroxypropyl)quinazolin-4-one
CID 142014716
3-(3-methyl-2-oxobutyl)quinazolin-4-one
CID 78949362
3-propylquinazolin-4-one
CID 529124
3-benzyl-6-hydroxy-7-methylquinazolin-4-one
CID 58824218

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 3-methyl-5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid (CID 43620970) is 3-methyl-5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid is Cc1cc(Cn2cnc3ccccc3c2=O)oc1C(=O)O.
What is the InChIKey of 3-methyl-5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid?
The InChIKey is SQUSOAGLCSIIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-9-6-10(21-13(9)15(19)20)7-17-8-16-12-5-3-2-4-11(12)14(17)18/h2-6,8H,7H2,1H3,(H,19,20).
What are the key properties of 3-methyl-5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid?
3-methyl-5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid has a molecular weight of 284.27 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 43620970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).