2,3-difluoro-2H-quinoline-3-carboxamide

C10H8F2N2O — CID 141386751

IUPAC2,3-difluoro-2H-quinoline-3-carboxamide
SMILESNC(=O)C1(F)C=c2ccccc2=NC1F
InChIInChI=1S/C10H8F2N2O/c11-8-10(12,9(13)15)5-6-3-1-2-4-7(6)14-8/h1-5,8H,(H2,13,15)
InChIKeyTWJZXVMRDIAXEJ-UHFFFAOYSA-N
MW210.18 g/mol
LogP-0.41
Rot. Bonds1

About 2,3-difluoro-2H-quinoline-3-carboxamide

2,3-difluoro-2H-quinoline-3-carboxamide (PubChem CID 141386751) has the molecular formula C10H8F2N2O and a molecular weight of 210.18 g/mol. Its IUPAC name is 2,3-difluoro-2H-quinoline-3-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-2H-quinoline-3-carboxamide
PubChem CID141386751
Molecular FormulaC10H8F2N2O
Molecular Weight210.18 g/mol
Exact Mass210.06
IUPAC Name2,3-difluoro-2H-quinoline-3-carboxamide
SMILESNC(=O)C1(F)C=c2ccccc2=NC1F
InChIInChI=1S/C10H8F2N2O/c11-8-10(12,9(13)15)5-6-3-1-2-4-7(6)14-8/h1-5,8H,(H2,13,15)
InChIKeyTWJZXVMRDIAXEJ-UHFFFAOYSA-N
XLogP-0.41
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 5-0.41
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 2,3-difluoro-2H-quinoline-3-carboxamide?
The IUPAC name of 2,3-difluoro-2H-quinoline-3-carboxamide (CID 141386751) is 2,3-difluoro-2H-quinoline-3-carboxamide.
What is the SMILES notation for 2,3-difluoro-2H-quinoline-3-carboxamide?
The canonical SMILES for 2,3-difluoro-2H-quinoline-3-carboxamide is NC(=O)C1(F)C=c2ccccc2=NC1F.
What is the InChIKey of 2,3-difluoro-2H-quinoline-3-carboxamide?
The InChIKey is TWJZXVMRDIAXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O/c11-8-10(12,9(13)15)5-6-3-1-2-4-7(6)14-8/h1-5,8H,(H2,13,15).
What are the key properties of 2,3-difluoro-2H-quinoline-3-carboxamide?
2,3-difluoro-2H-quinoline-3-carboxamide has a molecular weight of 210.18 g/mol, XLogP of -0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-2H-quinoline-3-carboxamide is sourced from PubChem (CID 141386751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).