2-methyl-N'-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide

C17H19N3 — CID 3052008

IUPAC2-methyl-N'-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide
SMILESCC1CCc2ccccc2N1/C(N)=N/c1ccccc1
InChIInChI=1S/C17H19N3/c1-13-11-12-14-7-5-6-10-16(14)20(13)17(18)19-15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3,(H2,18,19)
InChIKeyIWSBLQPUEGVOKH-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.47
Rot. Bonds1

About 2-methyl-N'-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide

2-methyl-N'-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide (PubChem CID 3052008) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-methyl-N'-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide.

Molecular Properties

Compound Name2-methyl-N'-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide
PubChem CID3052008
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-methyl-N'-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide
SMILESCC1CCc2ccccc2N1/C(N)=N/c1ccccc1
InChIInChI=1S/C17H19N3/c1-13-11-12-14-7-5-6-10-16(14)20(13)17(18)19-15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3,(H2,18,19)
InChIKeyIWSBLQPUEGVOKH-UHFFFAOYSA-N
XLogP3.47
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.47
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide?
The IUPAC name of 2-methyl-N'-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide (CID 3052008) is 2-methyl-N'-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide.
What is the SMILES notation for 2-methyl-N'-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide?
The canonical SMILES for 2-methyl-N'-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide is CC1CCc2ccccc2N1/C(N)=N/c1ccccc1.
What is the InChIKey of 2-methyl-N'-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide?
The InChIKey is IWSBLQPUEGVOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-13-11-12-14-7-5-6-10-16(14)20(13)17(18)19-15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3,(H2,18,19).
What are the key properties of 2-methyl-N'-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide?
2-methyl-N'-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide has a molecular weight of 265.36 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide is sourced from PubChem (CID 3052008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).