N'-[1-[2-(methylamino)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide

C17H22N4S — CID 25015647

IUPACN'-[1-[2-(methylamino)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide
SMILESCNCCN1CCCc2cc(/N=C(\N)c3cccs3)ccc21
InChIInChI=1S/C17H22N4S/c1-19-8-10-21-9-2-4-13-12-14(6-7-15(13)21)20-17(18)16-5-3-11-22-16/h3,5-7,11-12,19H,2,4,8-10H2,1H3,(H2,18,20)
InChIKeyOGZIQVTYHMBLMX-UHFFFAOYSA-N
MW314.46 g/mol
LogP2.76
Rot. Bonds5

About N'-[1-[2-(methylamino)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide

N'-[1-[2-(methylamino)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide (PubChem CID 25015647) has the molecular formula C17H22N4S and a molecular weight of 314.46 g/mol. Its IUPAC name is N'-[1-[2-(methylamino)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[1-[2-(methylamino)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide
PubChem CID25015647
Molecular FormulaC17H22N4S
Molecular Weight314.46 g/mol
Exact Mass314.16
IUPAC NameN'-[1-[2-(methylamino)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide
SMILESCNCCN1CCCc2cc(/N=C(\N)c3cccs3)ccc21
InChIInChI=1S/C17H22N4S/c1-19-8-10-21-9-2-4-13-12-14(6-7-15(13)21)20-17(18)16-5-3-11-22-16/h3,5-7,11-12,19H,2,4,8-10H2,1H3,(H2,18,20)
InChIKeyOGZIQVTYHMBLMX-UHFFFAOYSA-N
XLogP2.76
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methylthiophen-2-yl)aniline
CID 44369431
1,2-Dihydro-2-(thien-2-yl)-4-quinazolinamine
CID 10922301
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;dihydrochloride
CID 57341144
N-(1-(Pyrrolidin-3-yl)-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboximidamide dihydrochloride
CID 57341336
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-ethyl-5-phenyl-3-(thiophen-2-yl)-3H-benzo[e][1,4]diazepin-2-amine
CID 135508048
4H-Thieno(3,4-b)(1,4)benzodiazepine, 9-(4-methyl-1-piperazinyl)-
CID 3057701
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-[2-[ethyl(methyl)amino]ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;dihydrochloride
CID 57341142

Frequently Asked Questions

What is the IUPAC name of N'-[1-[2-(methylamino)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide?
The IUPAC name of N'-[1-[2-(methylamino)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide (CID 25015647) is N'-[1-[2-(methylamino)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[1-[2-(methylamino)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[1-[2-(methylamino)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide is CNCCN1CCCc2cc(/N=C(\N)c3cccs3)ccc21.
What is the InChIKey of N'-[1-[2-(methylamino)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide?
The InChIKey is OGZIQVTYHMBLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4S/c1-19-8-10-21-9-2-4-13-12-14(6-7-15(13)21)20-17(18)16-5-3-11-22-16/h3,5-7,11-12,19H,2,4,8-10H2,1H3,(H2,18,20).
What are the key properties of N'-[1-[2-(methylamino)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide?
N'-[1-[2-(methylamino)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide has a molecular weight of 314.46 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[2-(methylamino)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide is sourced from PubChem (CID 25015647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).