2-fluoro-4,8-dihydroquinoline-3-carboxylic acid

C10H8FNO2 — CID 150862324

IUPAC2-fluoro-4,8-dihydroquinoline-3-carboxylic acid
SMILESO=C(O)C1=C(F)N=C2CC=CC=C2C1
InChIInChI=1S/C10H8FNO2/c11-9-7(10(13)14)5-6-3-1-2-4-8(6)12-9/h1-3H,4-5H2,(H,13,14)
InChIKeyKSHQDCDMTWYUKZ-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.98
Rot. Bonds1

About 2-fluoro-4,8-dihydroquinoline-3-carboxylic acid

2-fluoro-4,8-dihydroquinoline-3-carboxylic acid (PubChem CID 150862324) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 2-fluoro-4,8-dihydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-fluoro-4,8-dihydroquinoline-3-carboxylic acid
PubChem CID150862324
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name2-fluoro-4,8-dihydroquinoline-3-carboxylic acid
SMILESO=C(O)C1=C(F)N=C2CC=CC=C2C1
InChIInChI=1S/C10H8FNO2/c11-9-7(10(13)14)5-6-3-1-2-4-8(6)12-9/h1-3H,4-5H2,(H,13,14)
InChIKeyKSHQDCDMTWYUKZ-UHFFFAOYSA-N
XLogP1.98
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,8-dihydroquinoline-3-carboxylic acid?
The IUPAC name of 2-fluoro-4,8-dihydroquinoline-3-carboxylic acid (CID 150862324) is 2-fluoro-4,8-dihydroquinoline-3-carboxylic acid.
What is the SMILES notation for 2-fluoro-4,8-dihydroquinoline-3-carboxylic acid?
The canonical SMILES for 2-fluoro-4,8-dihydroquinoline-3-carboxylic acid is O=C(O)C1=C(F)N=C2CC=CC=C2C1.
What is the InChIKey of 2-fluoro-4,8-dihydroquinoline-3-carboxylic acid?
The InChIKey is KSHQDCDMTWYUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c11-9-7(10(13)14)5-6-3-1-2-4-8(6)12-9/h1-3H,4-5H2,(H,13,14).
What are the key properties of 2-fluoro-4,8-dihydroquinoline-3-carboxylic acid?
2-fluoro-4,8-dihydroquinoline-3-carboxylic acid has a molecular weight of 193.18 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,8-dihydroquinoline-3-carboxylic acid is sourced from PubChem (CID 150862324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).