N'-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride

C18H24Cl2N4S — CID 57341336

IUPACN'-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride
SMILESCl.Cl.N/C(=N\c1ccc2c(c1)CCCN2C1CCNC1)c1cccs1
InChIInChI=1S/C18H22N4S.2ClH/c19-18(17-4-2-10-23-17)21-14-5-6-16-13(11-14)3-1-9-22(16)15-7-8-20-12-15;;/h2,4-6,10-11,15,20H,1,3,7-9,12H2,(H2,19,21);2*1H
InChIKeyQROVMZITPYYMOP-UHFFFAOYSA-N
MW399.39 g/mol
LogP3.74
Rot. Bonds3

About N'-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride

N'-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride (PubChem CID 57341336) has the molecular formula C18H24Cl2N4S and a molecular weight of 399.39 g/mol. Its IUPAC name is N'-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride.

Molecular Properties

Compound NameN'-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride
PubChem CID57341336
Molecular FormulaC18H24Cl2N4S
Molecular Weight399.39 g/mol
Exact Mass398.11
IUPAC NameN'-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride
SMILESCl.Cl.N/C(=N\c1ccc2c(c1)CCCN2C1CCNC1)c1cccs1
InChIInChI=1S/C18H22N4S.2ClH/c19-18(17-4-2-10-23-17)21-14-5-6-16-13(11-14)3-1-9-22(16)15-7-8-20-12-15;;/h2,4-6,10-11,15,20H,1,3,7-9,12H2,(H2,19,21);2*1H
InChIKeyQROVMZITPYYMOP-UHFFFAOYSA-N
XLogP3.74
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.39
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-(1-piperidin-4-yl-2,3-dihydroindol-5-yl)thiophene-2-carboximidamide
CID 25014630
N'-[1-[2-(methylamino)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide
CID 25015647
N'-[1-[4-(methylamino)cyclohexyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide
CID 56924689
N'-[1-[2-(methylamino)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;dihydrochloride
CID 57341144
N-(1-(Piperidin-4-yl)indolin-5-yl)thiophene-2-carboximidamide dihydrochloride
CID 67492912
N'-[1-[2-(dimethylamino)ethyl]-2,3,4,5-tetrahydro-1-benzazepin-7-yl]thiophene-2-carboximidamide;dihydrochloride
CID 67493358
N'-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;dihydrochloride
CID 53387025
N'-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;dihydrochloride
CID 53392451
N'-(1-pyrrolidin-3-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide
CID 56950067
N'-(1-piperidin-4-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide
CID 56950186
N'-[1-[2-[ethyl(methyl)amino]ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;dihydrochloride
CID 57341142
N'-[1-[2-[2-hydroxyethyl(methyl)amino]ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;dihydrochloride
CID 57341143

Frequently Asked Questions

What is the IUPAC name of N'-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride?
The IUPAC name of N'-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride (CID 57341336) is N'-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride.
What is the SMILES notation for N'-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride?
The canonical SMILES for N'-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride is Cl.Cl.N/C(=N\c1ccc2c(c1)CCCN2C1CCNC1)c1cccs1.
What is the InChIKey of N'-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride?
The InChIKey is QROVMZITPYYMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4S.2ClH/c19-18(17-4-2-10-23-17)21-14-5-6-16-13(11-14)3-1-9-22(16)15-7-8-20-12-15;;/h2,4-6,10-11,15,20H,1,3,7-9,12H2,(H2,19,21);2*1H.
What are the key properties of N'-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride?
N'-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride has a molecular weight of 399.39 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride is sourced from PubChem (CID 57341336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).