N'-(4-chlorophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride

C17H19Cl2N3 — CID 3052009

IUPACN'-(4-chlorophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride
SMILESCC1CCc2ccccc2N1/C(N)=N/c1ccc(Cl)cc1.Cl
InChIInChI=1S/C17H18ClN3.ClH/c1-12-6-7-13-4-2-3-5-16(13)21(12)17(19)20-15-10-8-14(18)9-11-15;/h2-5,8-12H,6-7H2,1H3,(H2,19,20);1H
InChIKeyTYPBJRCSVPSMIA-UHFFFAOYSA-N
MW336.27 g/mol
LogP4.55
Rot. Bonds1

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

N'-(4-chlorophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride (PubChem CID 3052009) has the molecular formula C17H19Cl2N3 and a molecular weight of 336.27 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride
PubChem CID3052009
Molecular FormulaC17H19Cl2N3
Molecular Weight336.27 g/mol
Exact Mass335.10
IUPAC NameN'-(4-chlorophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride
SMILESCC1CCc2ccccc2N1/C(N)=N/c1ccc(Cl)cc1.Cl
InChIInChI=1S/C17H18ClN3.ClH/c1-12-6-7-13-4-2-3-5-16(13)21(12)17(19)20-15-10-8-14(18)9-11-15;/h2-5,8-12H,6-7H2,1H3,(H2,19,20);1H
InChIKeyTYPBJRCSVPSMIA-UHFFFAOYSA-N
XLogP4.55
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 54.55
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 N'-(4-chlorophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride?
The IUPAC name of N'-(4-chlorophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride (CID 3052009) is N'-(4-chlorophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride.
What is the SMILES notation for N'-(4-chlorophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride?
The canonical SMILES for N'-(4-chlorophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride is CC1CCc2ccccc2N1/C(N)=N/c1ccc(Cl)cc1.Cl.
What is the InChIKey of N'-(4-chlorophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride?
The InChIKey is TYPBJRCSVPSMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3.ClH/c1-12-6-7-13-4-2-3-5-16(13)21(12)17(19)20-15-10-8-14(18)9-11-15;/h2-5,8-12H,6-7H2,1H3,(H2,19,20);1H.
What are the key properties of N'-(4-chlorophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride?
N'-(4-chlorophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride has a molecular weight of 336.27 g/mol, XLogP of 4.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride is sourced from PubChem (CID 3052009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).