4-[2,2-difluoroethyl(2-hydroxyethyl)amino]quinoline-3-carboximidamide

C14H16F2N4O — CID 107480189

IUPAC4-[2,2-difluoroethyl(2-hydroxyethyl)amino]quinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cnc2ccccc2c1N(CCO)CC(F)F
InChIInChI=1S/C14H16F2N4O/c15-12(16)8-20(5-6-21)13-9-3-1-2-4-11(9)19-7-10(13)14(17)18/h1-4,7,12,21H,5-6,8H2,(H3,17,18)
InChIKeyCWDFPFXMCGMHNQ-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.58
Rot. Bonds6

About 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]quinoline-3-carboximidamide

4-[2,2-difluoroethyl(2-hydroxyethyl)amino]quinoline-3-carboximidamide (PubChem CID 107480189) has the molecular formula C14H16F2N4O and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]quinoline-3-carboximidamide.

Molecular Properties

Compound Name4-[2,2-difluoroethyl(2-hydroxyethyl)amino]quinoline-3-carboximidamide
PubChem CID107480189
Molecular FormulaC14H16F2N4O
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name4-[2,2-difluoroethyl(2-hydroxyethyl)amino]quinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cnc2ccccc2c1N(CCO)CC(F)F
InChIInChI=1S/C14H16F2N4O/c15-12(16)8-20(5-6-21)13-9-3-1-2-4-11(9)19-7-10(13)14(17)18/h1-4,7,12,21H,5-6,8H2,(H3,17,18)
InChIKeyCWDFPFXMCGMHNQ-UHFFFAOYSA-N
XLogP1.58
TPSA86.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[butan-2-yl(methyl)amino]quinoline-3-carboximidamide
CID 43669816
4-[3-(dimethylamino)propyl-methylamino]quinoline-3-carboximidamide
CID 63694201
4-[methyl(pentyl)amino]quinoline-3-carboximidamide
CID 43669819
4-[butyl(cyclopropyl)amino]quinoline-3-carboximidamide
CID 61441744
4-(2,2,2-trifluoroethoxy)quinoline-3-carboximidamide
CID 43669871
4-[2-(diethylamino)ethoxy]quinoline-3-carboximidamide
CID 61104595
4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-3-carboximidamide
CID 43669800
4-[ethyl(2-methylpropyl)amino]quinoline-3-carbothioamide
CID 43669643
2-[[3-(aminomethyl)quinolin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478493
4-(1,2,4-triazol-1-yl)quinoline-3-carboximidamide
CID 43669845
2-[(5-aminopyrazin-2-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107495031
2-(2,2-difluoroethoxy)quinoline-3-carboximidamide
CID 82005292

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]quinoline-3-carboximidamide?
The IUPAC name of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]quinoline-3-carboximidamide (CID 107480189) is 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]quinoline-3-carboximidamide.
What is the SMILES notation for 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]quinoline-3-carboximidamide?
The canonical SMILES for 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]quinoline-3-carboximidamide is [H]/N=C(\N)c1cnc2ccccc2c1N(CCO)CC(F)F.
What is the InChIKey of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]quinoline-3-carboximidamide?
The InChIKey is CWDFPFXMCGMHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O/c15-12(16)8-20(5-6-21)13-9-3-1-2-4-11(9)19-7-10(13)14(17)18/h1-4,7,12,21H,5-6,8H2,(H3,17,18).
What are the key properties of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]quinoline-3-carboximidamide?
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]quinoline-3-carboximidamide has a molecular weight of 294.31 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]quinoline-3-carboximidamide is sourced from PubChem (CID 107480189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).