6,7-difluoro-4,8-dihydroquinoline-3-carboxylic acid

C10H7F2NO2 — CID 151497243

IUPAC6,7-difluoro-4,8-dihydroquinoline-3-carboxylic acid
SMILESO=C(O)C1=CN=C2CC(F)=C(F)C=C2C1
InChIInChI=1S/C10H7F2NO2/c11-7-2-5-1-6(10(14)15)4-13-9(5)3-8(7)12/h2,4H,1,3H2,(H,14,15)
InChIKeyPPRBSWJMRINEOB-UHFFFAOYSA-N
MW211.17 g/mol
LogP2.28
Rot. Bonds1

About 6,7-difluoro-4,8-dihydroquinoline-3-carboxylic acid

6,7-difluoro-4,8-dihydroquinoline-3-carboxylic acid (PubChem CID 151497243) has the molecular formula C10H7F2NO2 and a molecular weight of 211.17 g/mol. Its IUPAC name is 6,7-difluoro-4,8-dihydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6,7-difluoro-4,8-dihydroquinoline-3-carboxylic acid
PubChem CID151497243
Molecular FormulaC10H7F2NO2
Molecular Weight211.17 g/mol
Exact Mass211.04
IUPAC Name6,7-difluoro-4,8-dihydroquinoline-3-carboxylic acid
SMILESO=C(O)C1=CN=C2CC(F)=C(F)C=C2C1
InChIInChI=1S/C10H7F2NO2/c11-7-2-5-1-6(10(14)15)4-13-9(5)3-8(7)12/h2,4H,1,3H2,(H,14,15)
InChIKeyPPRBSWJMRINEOB-UHFFFAOYSA-N
XLogP2.28
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-4,8-dihydroquinoline-3-carboxylic acid?
The IUPAC name of 6,7-difluoro-4,8-dihydroquinoline-3-carboxylic acid (CID 151497243) is 6,7-difluoro-4,8-dihydroquinoline-3-carboxylic acid.
What is the SMILES notation for 6,7-difluoro-4,8-dihydroquinoline-3-carboxylic acid?
The canonical SMILES for 6,7-difluoro-4,8-dihydroquinoline-3-carboxylic acid is O=C(O)C1=CN=C2CC(F)=C(F)C=C2C1.
What is the InChIKey of 6,7-difluoro-4,8-dihydroquinoline-3-carboxylic acid?
The InChIKey is PPRBSWJMRINEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO2/c11-7-2-5-1-6(10(14)15)4-13-9(5)3-8(7)12/h2,4H,1,3H2,(H,14,15).
What are the key properties of 6,7-difluoro-4,8-dihydroquinoline-3-carboxylic acid?
6,7-difluoro-4,8-dihydroquinoline-3-carboxylic acid has a molecular weight of 211.17 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-4,8-dihydroquinoline-3-carboxylic acid is sourced from PubChem (CID 151497243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).