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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Related Compounds

4-amino-6-fluoroquinoline-3-carboxylic acid;dihydrate
CID 73012700
methyl 4-amino-8-bromo-6-fluoroquinoline-3-carboxylate
CID 102614854
6,8-difluoroquinoline-3-carboxylic acid
CID 22452302
ethyl 4-amino-6-fluoro-8-methylquinoline-3-carboxylate
CID 54773005
methyl 4-amino-6-fluoro-8-methoxyquinoline-3-carboxylate
CID 102614869
carbamic acid;6,8-difluoroquinolin-4-amine
CID 172800812
6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylic acid
CID 23239670
4-bromo-6-fluoro-8-methylquinoline-3-carboxylic acid
CID 97033444
ethyl 6,8-difluoro-4-(propylamino)quinoline-3-carboxylate
CID 63486440
6,8-difluoro-[1,2]oxazolo[4,3-c]quinolin-3-amine
CID 66487479
6,8-difluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid
CID 64988724
4-amino-6-bromoquinoline-3-carboxylic acid
CID 46397798

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).