5-(quinolin-5-ylcarbamoyl)furan-3-carboxylic acid

C15H10N2O4 — CID 104607003

IUPAC5-(quinolin-5-ylcarbamoyl)furan-3-carboxylic acid
SMILESO=C(O)c1coc(C(=O)Nc2cccc3ncccc23)c1
InChIInChI=1S/C15H10N2O4/c18-14(13-7-9(8-21-13)15(19)20)17-12-5-1-4-11-10(12)3-2-6-16-11/h1-8H,(H,17,18)(H,19,20)
InChIKeyJBDQUIXDSZEBAJ-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.78
Rot. Bonds3

About 5-(quinolin-5-ylcarbamoyl)furan-3-carboxylic acid

5-(quinolin-5-ylcarbamoyl)furan-3-carboxylic acid (PubChem CID 104607003) has the molecular formula C15H10N2O4 and a molecular weight of 282.26 g/mol. Its IUPAC name is 5-(quinolin-5-ylcarbamoyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-(quinolin-5-ylcarbamoyl)furan-3-carboxylic acid
PubChem CID104607003
Molecular FormulaC15H10N2O4
Molecular Weight282.26 g/mol
Exact Mass282.06
IUPAC Name5-(quinolin-5-ylcarbamoyl)furan-3-carboxylic acid
SMILESO=C(O)c1coc(C(=O)Nc2cccc3ncccc23)c1
InChIInChI=1S/C15H10N2O4/c18-14(13-7-9(8-21-13)15(19)20)17-12-5-1-4-11-10(12)3-2-6-16-11/h1-8H,(H,17,18)(H,19,20)
InChIKeyJBDQUIXDSZEBAJ-UHFFFAOYSA-N
XLogP2.78
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-quinolin-5-ylfuran-2-carboxamide
CID 9452246
2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide
CID 2782162
3-chloro-N-quinolin-5-ylbenzamide
CID 5127132
N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423
4-(bromomethyl)-N-quinolin-5-ylbenzamide
CID 102850797
2-bromo-N-quinolin-5-ylpyridine-4-carboxamide
CID 103751909
2-chloro-N-quinolin-5-ylfuran-3-carboxamide
CID 106685203
CID 73213052
CID 73213052
4-(quinolin-5-ylamino)benzoic acid
CID 62230854
4-(methylamino)-N-quinolin-5-ylbenzamide
CID 62187273
4-bromo-3,5-dimethoxy-N-quinolin-5-ylbenzamide
CID 26706123
2,3-dimethyl-N-quinolin-5-ylquinoxaline-6-carboxamide
CID 51205597

Frequently Asked Questions

What is the IUPAC name of 5-(quinolin-5-ylcarbamoyl)furan-3-carboxylic acid?
The IUPAC name of 5-(quinolin-5-ylcarbamoyl)furan-3-carboxylic acid (CID 104607003) is 5-(quinolin-5-ylcarbamoyl)furan-3-carboxylic acid.
What is the SMILES notation for 5-(quinolin-5-ylcarbamoyl)furan-3-carboxylic acid?
The canonical SMILES for 5-(quinolin-5-ylcarbamoyl)furan-3-carboxylic acid is O=C(O)c1coc(C(=O)Nc2cccc3ncccc23)c1.
What is the InChIKey of 5-(quinolin-5-ylcarbamoyl)furan-3-carboxylic acid?
The InChIKey is JBDQUIXDSZEBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O4/c18-14(13-7-9(8-21-13)15(19)20)17-12-5-1-4-11-10(12)3-2-6-16-11/h1-8H,(H,17,18)(H,19,20).
What are the key properties of 5-(quinolin-5-ylcarbamoyl)furan-3-carboxylic acid?
5-(quinolin-5-ylcarbamoyl)furan-3-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(quinolin-5-ylcarbamoyl)furan-3-carboxylic acid is sourced from PubChem (CID 104607003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).