2-(4-tert-butylphenyl)-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride

C23H32ClN3 — CID 45261270

IUPAC2-(4-tert-butylphenyl)-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1c2ccc(C(C)C)cc2CCC1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H31N3.ClH/c1-15(2)17-8-12-21-18(14-17)9-13-20(26(21)22(24)25)16-6-10-19(11-7-16)23(3,4)5;/h6-8,10-12,14-15,20H,9,13H2,1-5H3,(H3,24,25);1H
InChIKeyYZXWWIJPLMZMQH-UHFFFAOYSA-N
MW385.98 g/mol
LogP5.92
Rot. Bonds2

About 2-(4-tert-butylphenyl)-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride

2-(4-tert-butylphenyl)-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride (PubChem CID 45261270) has the molecular formula C23H32ClN3 and a molecular weight of 385.98 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride
PubChem CID45261270
Molecular FormulaC23H32ClN3
Molecular Weight385.98 g/mol
Exact Mass385.23
IUPAC Name2-(4-tert-butylphenyl)-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1c2ccc(C(C)C)cc2CCC1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H31N3.ClH/c1-15(2)17-8-12-21-18(14-17)9-13-20(26(21)22(24)25)16-6-10-19(11-7-16)23(3,4)5;/h6-8,10-12,14-15,20H,9,13H2,1-5H3,(H3,24,25);1H
InChIKeyYZXWWIJPLMZMQH-UHFFFAOYSA-N
XLogP5.92
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.98
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-tert-butylphenyl)-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1(2H)-Quinolinecarboximidamide, 3,4-dihydro-2-methyl-N-phenyl-, monohydrochloride
CID 3052007
1,3-Bis-(4-sec-butyl-phenyl)-tetrahydro-pyrimidin-2-ylideneamine; hydrobromide
CID 10433574
N,N-diethyl-2-methyl-3,4-dihydroquinoline-1(2H)-carboximidamide
CID 16193313
N,N'-Bis(4-sec-butylphenyl)-N,N'-bis-methyl guanidine.HCl
CID 45261438
1,3-Bis(4-butan-2-ylphenyl)-1,3-diazinan-2-imine;hydrobromide
CID 10433573
6-Methyl-3-[2-(4-propan-2-ylphenyl)ethyl]-1,4-dihydroquinazoline-2-thione
CID 46232664
N,N,2-trimethyl-3,4-dihydro-1(2H)-quinolinecarboximidamide hydrochloride
CID 2965284
C-[Bis-(3,4-dihydro-2H-quinolin-1-yl)]-methyleneamine
CID 242976
1H-1,3-Benzodiazepin-2-amine, 4,5-dihydro-7-methyl-5-(4-methylphenyl)-, monohydrochloride
CID 13339189
N,N,2-trimethyl-3,4-dihydro-2H-quinoline-1-carboximidamide
CID 2965285
2-Methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-1-carboximidamide
CID 3052008
2-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride
CID 45261343

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride?
The IUPAC name of 2-(4-tert-butylphenyl)-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride (CID 45261270) is 2-(4-tert-butylphenyl)-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride.
What is the SMILES notation for 2-(4-tert-butylphenyl)-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride?
The canonical SMILES for 2-(4-tert-butylphenyl)-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)N1c2ccc(C(C)C)cc2CCC1c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride?
The InChIKey is YZXWWIJPLMZMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3.ClH/c1-15(2)17-8-12-21-18(14-17)9-13-20(26(21)22(24)25)16-6-10-19(11-7-16)23(3,4)5;/h6-8,10-12,14-15,20H,9,13H2,1-5H3,(H3,24,25);1H.
What are the key properties of 2-(4-tert-butylphenyl)-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride?
2-(4-tert-butylphenyl)-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride has a molecular weight of 385.98 g/mol, XLogP of 5.92, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride is sourced from PubChem (CID 45261270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).