N'-(3,4-difluorophenyl)-3,4-dihydro-2H-quinoline-1-carboximidamide

C16H15F2N3 — CID 18709592

IUPACN'-(3,4-difluorophenyl)-3,4-dihydro-2H-quinoline-1-carboximidamide
SMILESN/C(=N\c1ccc(F)c(F)c1)N1CCCc2ccccc21
InChIInChI=1S/C16H15F2N3/c17-13-8-7-12(10-14(13)18)20-16(19)21-9-3-5-11-4-1-2-6-15(11)21/h1-2,4,6-8,10H,3,5,9H2,(H2,19,20)
InChIKeyBUBPUSNLYDAGEH-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.36
Rot. Bonds1

About N'-(3,4-difluorophenyl)-3,4-dihydro-2H-quinoline-1-carboximidamide

N'-(3,4-difluorophenyl)-3,4-dihydro-2H-quinoline-1-carboximidamide (PubChem CID 18709592) has the molecular formula C16H15F2N3 and a molecular weight of 287.31 g/mol. Its IUPAC name is N'-(3,4-difluorophenyl)-3,4-dihydro-2H-quinoline-1-carboximidamide.

Molecular Properties

Compound NameN'-(3,4-difluorophenyl)-3,4-dihydro-2H-quinoline-1-carboximidamide
PubChem CID18709592
Molecular FormulaC16H15F2N3
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC NameN'-(3,4-difluorophenyl)-3,4-dihydro-2H-quinoline-1-carboximidamide
SMILESN/C(=N\c1ccc(F)c(F)c1)N1CCCc2ccccc21
InChIInChI=1S/C16H15F2N3/c17-13-8-7-12(10-14(13)18)20-16(19)21-9-3-5-11-4-1-2-6-15(11)21/h1-2,4,6-8,10H,3,5,9H2,(H2,19,20)
InChIKeyBUBPUSNLYDAGEH-UHFFFAOYSA-N
XLogP3.36
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N'-pyrimidin-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide
CID 17036150
N'-(3-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride
CID 23503705
(3-amino-4-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 23120300
3,4-dihydro-2H-quinolin-1-yl-(4-fluoro-3-sulfanylphenyl)methanone
CID 107021556
N'-hydroxy-2,3-dihydroindole-1-carboximidamide
CID 76944392
N'-hydroxy-2,3-dihydroindole-1-carboximidamide
CID 126972145
N-(3,4-difluorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxamide
CID 109150627
(2-fluoro-5-sulfanylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 107031389
N-(3,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 108991230
(2,4-difluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 736346
N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride
CID 23503782
N'-(2-naphthalen-1-ylethyl)-3,4-dihydro-2H-quinoline-1-carboximidamide
CID 67553346

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-difluorophenyl)-3,4-dihydro-2H-quinoline-1-carboximidamide?
The IUPAC name of N'-(3,4-difluorophenyl)-3,4-dihydro-2H-quinoline-1-carboximidamide (CID 18709592) is N'-(3,4-difluorophenyl)-3,4-dihydro-2H-quinoline-1-carboximidamide.
What is the SMILES notation for N'-(3,4-difluorophenyl)-3,4-dihydro-2H-quinoline-1-carboximidamide?
The canonical SMILES for N'-(3,4-difluorophenyl)-3,4-dihydro-2H-quinoline-1-carboximidamide is N/C(=N\c1ccc(F)c(F)c1)N1CCCc2ccccc21.
What is the InChIKey of N'-(3,4-difluorophenyl)-3,4-dihydro-2H-quinoline-1-carboximidamide?
The InChIKey is BUBPUSNLYDAGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3/c17-13-8-7-12(10-14(13)18)20-16(19)21-9-3-5-11-4-1-2-6-15(11)21/h1-2,4,6-8,10H,3,5,9H2,(H2,19,20).
What are the key properties of N'-(3,4-difluorophenyl)-3,4-dihydro-2H-quinoline-1-carboximidamide?
N'-(3,4-difluorophenyl)-3,4-dihydro-2H-quinoline-1-carboximidamide has a molecular weight of 287.31 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-difluorophenyl)-3,4-dihydro-2H-quinoline-1-carboximidamide is sourced from PubChem (CID 18709592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).