4-amino-6-fluoroquinoline-3-carboxylic acid;dihydrate

C10H11FN2O4 — CID 73012700

IUPAC4-amino-6-fluoroquinoline-3-carboxylic acid;dihydrate
SMILESNc1c(C(=O)O)cnc2ccc(F)cc12.O.O
InChIInChI=1S/C10H7FN2O2.2H2O/c11-5-1-2-8-6(3-5)9(12)7(4-13-8)10(14)15;;/h1-4H,(H2,12,13)(H,14,15);2*1H2
InChIKeyIGIAJNSHNWILGT-UHFFFAOYSA-N
MW242.21 g/mol
LogP0.00
Rot. Bonds1

About 4-amino-6-fluoroquinoline-3-carboxylic acid;dihydrate

4-amino-6-fluoroquinoline-3-carboxylic acid;dihydrate (PubChem CID 73012700) has the molecular formula C10H11FN2O4 and a molecular weight of 242.21 g/mol. Its IUPAC name is 4-amino-6-fluoroquinoline-3-carboxylic acid;dihydrate.

Molecular Properties

Compound Name4-amino-6-fluoroquinoline-3-carboxylic acid;dihydrate
PubChem CID73012700
Molecular FormulaC10H11FN2O4
Molecular Weight242.21 g/mol
Exact Mass242.07
IUPAC Name4-amino-6-fluoroquinoline-3-carboxylic acid;dihydrate
SMILESNc1c(C(=O)O)cnc2ccc(F)cc12.O.O
InChIInChI=1S/C10H7FN2O2.2H2O/c11-5-1-2-8-6(3-5)9(12)7(4-13-8)10(14)15;;/h1-4H,(H2,12,13)(H,14,15);2*1H2
InChIKeyIGIAJNSHNWILGT-UHFFFAOYSA-N
XLogP0.00
TPSA139.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-fluoroquinoline-3-carboxylic acid;dihydrate?
The IUPAC name of 4-amino-6-fluoroquinoline-3-carboxylic acid;dihydrate (CID 73012700) is 4-amino-6-fluoroquinoline-3-carboxylic acid;dihydrate.
What is the SMILES notation for 4-amino-6-fluoroquinoline-3-carboxylic acid;dihydrate?
The canonical SMILES for 4-amino-6-fluoroquinoline-3-carboxylic acid;dihydrate is Nc1c(C(=O)O)cnc2ccc(F)cc12.O.O.
What is the InChIKey of 4-amino-6-fluoroquinoline-3-carboxylic acid;dihydrate?
The InChIKey is IGIAJNSHNWILGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2.2H2O/c11-5-1-2-8-6(3-5)9(12)7(4-13-8)10(14)15;;/h1-4H,(H2,12,13)(H,14,15);2*1H2.
What are the key properties of 4-amino-6-fluoroquinoline-3-carboxylic acid;dihydrate?
4-amino-6-fluoroquinoline-3-carboxylic acid;dihydrate has a molecular weight of 242.21 g/mol, XLogP of 0.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-fluoroquinoline-3-carboxylic acid;dihydrate is sourced from PubChem (CID 73012700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).