3-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylic acid

C15H12N2O4 — CID 62374530

IUPAC3-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylic acid
SMILESCc1nc2ccccc2n(Cc2ccoc2C(=O)O)c1=O
InChIInChI=1S/C15H12N2O4/c1-9-14(18)17(12-5-3-2-4-11(12)16-9)8-10-6-7-21-13(10)15(19)20/h2-7H,8H2,1H3,(H,19,20)
InChIKeyULXLNMDMKDJFGA-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.04
Rot. Bonds3

About 3-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylic acid

3-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylic acid (PubChem CID 62374530) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 3-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylic acid
PubChem CID62374530
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name3-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylic acid
SMILESCc1nc2ccccc2n(Cc2ccoc2C(=O)O)c1=O
InChIInChI=1S/C15H12N2O4/c1-9-14(18)17(12-5-3-2-4-11(12)16-9)8-10-6-7-21-13(10)15(19)20/h2-7H,8H2,1H3,(H,19,20)
InChIKeyULXLNMDMKDJFGA-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

3-[(2-methylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid
CID 43244444
3-[(2-propylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid
CID 115578490
1-benzyl-3-methylquinoxalin-2-one
CID 139051924
5-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 62374387
1-ethyl-3-methylquinoxalin-2-one
CID 139075519
3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid
CID 62374383
3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one
CID 13170889
3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoxalin-2-one
CID 72940907
1-(5-hydroxyhexyl)-3-methylquinoxalin-2-one
CID 55067815
2-(3-methyl-2-oxoquinoxalin-1-yl)acetohydrazide
CID 14616290
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylquinoxalin-2-one
CID 79765497
1-[(4-bromothiophen-2-yl)methyl]-3-methylquinoxalin-2-one
CID 62375019

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 3-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylic acid (CID 62374530) is 3-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylic acid is Cc1nc2ccccc2n(Cc2ccoc2C(=O)O)c1=O.
What is the InChIKey of 3-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylic acid?
The InChIKey is ULXLNMDMKDJFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-9-14(18)17(12-5-3-2-4-11(12)16-9)8-10-6-7-21-13(10)15(19)20/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 3-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylic acid?
3-[(3-methyl-2-oxoquinoxalin-1-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-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 62374530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).