5-[(quinoxalin-6-ylamino)methyl]furan-3-carboxylic acid

C14H11N3O3 — CID 104608670

IUPAC5-[(quinoxalin-6-ylamino)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(CNc2ccc3nccnc3c2)c1
InChIInChI=1S/C14H11N3O3/c18-14(19)9-5-11(20-8-9)7-17-10-1-2-12-13(6-10)16-4-3-15-12/h1-6,8,17H,7H2,(H,18,19)
InChIKeySQWAHRQWOWVSFY-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.53
Rot. Bonds4

About 5-[(quinoxalin-6-ylamino)methyl]furan-3-carboxylic acid

5-[(quinoxalin-6-ylamino)methyl]furan-3-carboxylic acid (PubChem CID 104608670) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-[(quinoxalin-6-ylamino)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(quinoxalin-6-ylamino)methyl]furan-3-carboxylic acid
PubChem CID104608670
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name5-[(quinoxalin-6-ylamino)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(CNc2ccc3nccnc3c2)c1
InChIInChI=1S/C14H11N3O3/c18-14(19)9-5-11(20-8-9)7-17-10-1-2-12-13(6-10)16-4-3-15-12/h1-6,8,17H,7H2,(H,18,19)
InChIKeySQWAHRQWOWVSFY-UHFFFAOYSA-N
XLogP2.53
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(quinoxalin-6-ylamino)methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(quinoxalin-6-ylamino)methyl]furan-3-carboxylic acid (CID 104608670) is 5-[(quinoxalin-6-ylamino)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(quinoxalin-6-ylamino)methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(quinoxalin-6-ylamino)methyl]furan-3-carboxylic acid is O=C(O)c1coc(CNc2ccc3nccnc3c2)c1.
What is the InChIKey of 5-[(quinoxalin-6-ylamino)methyl]furan-3-carboxylic acid?
The InChIKey is SQWAHRQWOWVSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c18-14(19)9-5-11(20-8-9)7-17-10-1-2-12-13(6-10)16-4-3-15-12/h1-6,8,17H,7H2,(H,18,19).
What are the key properties of 5-[(quinoxalin-6-ylamino)methyl]furan-3-carboxylic acid?
5-[(quinoxalin-6-ylamino)methyl]furan-3-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(quinoxalin-6-ylamino)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 104608670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).