4-hydrazinyl-N-(3,3,3-trifluoropropyl)quinoline-2-carboxamide

C13H13F3N4O — CID 63375657

IUPAC4-hydrazinyl-N-(3,3,3-trifluoropropyl)quinoline-2-carboxamide
SMILESNNc1cc(C(=O)NCCC(F)(F)F)nc2ccccc12
InChIInChI=1S/C13H13F3N4O/c14-13(15,16)5-6-18-12(21)11-7-10(20-17)8-3-1-2-4-9(8)19-11/h1-4,7H,5-6,17H2,(H,18,21)(H,19,20)
InChIKeyKJPPMXWBKZHPIY-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.20
Rot. Bonds4

About 4-hydrazinyl-N-(3,3,3-trifluoropropyl)quinoline-2-carboxamide

4-hydrazinyl-N-(3,3,3-trifluoropropyl)quinoline-2-carboxamide (PubChem CID 63375657) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is 4-hydrazinyl-N-(3,3,3-trifluoropropyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-hydrazinyl-N-(3,3,3-trifluoropropyl)quinoline-2-carboxamide
PubChem CID63375657
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name4-hydrazinyl-N-(3,3,3-trifluoropropyl)quinoline-2-carboxamide
SMILESNNc1cc(C(=O)NCCC(F)(F)F)nc2ccccc12
InChIInChI=1S/C13H13F3N4O/c14-13(15,16)5-6-18-12(21)11-7-10(20-17)8-3-1-2-4-9(8)19-11/h1-4,7H,5-6,17H2,(H,18,21)(H,19,20)
InChIKeyKJPPMXWBKZHPIY-UHFFFAOYSA-N
XLogP2.20
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(3,3,3-trifluoropropyl)quinoline-2-carboxamide?
The IUPAC name of 4-hydrazinyl-N-(3,3,3-trifluoropropyl)quinoline-2-carboxamide (CID 63375657) is 4-hydrazinyl-N-(3,3,3-trifluoropropyl)quinoline-2-carboxamide.
What is the SMILES notation for 4-hydrazinyl-N-(3,3,3-trifluoropropyl)quinoline-2-carboxamide?
The canonical SMILES for 4-hydrazinyl-N-(3,3,3-trifluoropropyl)quinoline-2-carboxamide is NNc1cc(C(=O)NCCC(F)(F)F)nc2ccccc12.
What is the InChIKey of 4-hydrazinyl-N-(3,3,3-trifluoropropyl)quinoline-2-carboxamide?
The InChIKey is KJPPMXWBKZHPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c14-13(15,16)5-6-18-12(21)11-7-10(20-17)8-3-1-2-4-9(8)19-11/h1-4,7H,5-6,17H2,(H,18,21)(H,19,20).
What are the key properties of 4-hydrazinyl-N-(3,3,3-trifluoropropyl)quinoline-2-carboxamide?
4-hydrazinyl-N-(3,3,3-trifluoropropyl)quinoline-2-carboxamide has a molecular weight of 298.27 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(3,3,3-trifluoropropyl)quinoline-2-carboxamide is sourced from PubChem (CID 63375657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).