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

C17H20ClN3 — CID 3052007

IUPAC2-methyl-N'-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride
SMILESCC1CCc2ccccc2N1/C(N)=N/c1ccccc1.Cl
InChIInChI=1S/C17H19N3.ClH/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);1H
InChIKeyXJADTETVQJEKIG-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.90
Rot. Bonds1

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

2-methyl-N'-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride (PubChem CID 3052007) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is 2-methyl-N'-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-N'-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride
PubChem CID3052007
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name2-methyl-N'-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride
SMILESCC1CCc2ccccc2N1/C(N)=N/c1ccccc1.Cl
InChIInChI=1S/C17H19N3.ClH/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);1H
InChIKeyXJADTETVQJEKIG-UHFFFAOYSA-N
XLogP3.90
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.90
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;hydrochloride?
The IUPAC name of 2-methyl-N'-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride (CID 3052007) is 2-methyl-N'-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride.
What is the SMILES notation for 2-methyl-N'-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride?
The canonical SMILES for 2-methyl-N'-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride is CC1CCc2ccccc2N1/C(N)=N/c1ccccc1.Cl.
What is the InChIKey of 2-methyl-N'-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride?
The InChIKey is XJADTETVQJEKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3.ClH/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);1H.
What are the key properties of 2-methyl-N'-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride?
2-methyl-N'-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride has a molecular weight of 301.82 g/mol, XLogP of 3.90, 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;hydrochloride is sourced from PubChem (CID 3052007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).