4-amino-6,8-difluoroquinoline-3-carboxylic acid

C10H6F2N2O2 — CID 46397763

IUPAC4-amino-6,8-difluoroquinoline-3-carboxylic acid
SMILESNc1c(C(=O)O)cnc2c(F)cc(F)cc12
InChIInChI=1S/C10H6F2N2O2/c11-4-1-5-8(13)6(10(15)16)3-14-9(5)7(12)2-4/h1-3H,(H2,13,14)(H,15,16)
InChIKeyVGCFPKQBCPJXMV-UHFFFAOYSA-N
MW224.17 g/mol
LogP1.79
Rot. Bonds1

About 4-amino-6,8-difluoroquinoline-3-carboxylic acid

4-amino-6,8-difluoroquinoline-3-carboxylic acid (PubChem CID 46397763) has the molecular formula C10H6F2N2O2 and a molecular weight of 224.17 g/mol. Its IUPAC name is 4-amino-6,8-difluoroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-6,8-difluoroquinoline-3-carboxylic acid
PubChem CID46397763
Molecular FormulaC10H6F2N2O2
Molecular Weight224.17 g/mol
Exact Mass224.04
IUPAC Name4-amino-6,8-difluoroquinoline-3-carboxylic acid
SMILESNc1c(C(=O)O)cnc2c(F)cc(F)cc12
InChIInChI=1S/C10H6F2N2O2/c11-4-1-5-8(13)6(10(15)16)3-14-9(5)7(12)2-4/h1-3H,(H2,13,14)(H,15,16)
InChIKeyVGCFPKQBCPJXMV-UHFFFAOYSA-N
XLogP1.79
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.17
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6,8-difluoroquinoline-3-carboxylic acid?
The IUPAC name of 4-amino-6,8-difluoroquinoline-3-carboxylic acid (CID 46397763) is 4-amino-6,8-difluoroquinoline-3-carboxylic acid.
What is the SMILES notation for 4-amino-6,8-difluoroquinoline-3-carboxylic acid?
The canonical SMILES for 4-amino-6,8-difluoroquinoline-3-carboxylic acid is Nc1c(C(=O)O)cnc2c(F)cc(F)cc12.
What is the InChIKey of 4-amino-6,8-difluoroquinoline-3-carboxylic acid?
The InChIKey is VGCFPKQBCPJXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2O2/c11-4-1-5-8(13)6(10(15)16)3-14-9(5)7(12)2-4/h1-3H,(H2,13,14)(H,15,16).
What are the key properties of 4-amino-6,8-difluoroquinoline-3-carboxylic acid?
4-amino-6,8-difluoroquinoline-3-carboxylic acid has a molecular weight of 224.17 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6,8-difluoroquinoline-3-carboxylic acid is sourced from PubChem (CID 46397763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).