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

C19H28Cl2N4S — CID 57341334

IUPACN'-[1-[2-(propan-2-ylamino)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;dihydrochloride
SMILESCC(C)NCCN1CCCc2cc(/N=C(\N)c3cccs3)ccc21.Cl.Cl
InChIInChI=1S/C19H26N4S.2ClH/c1-14(2)21-9-11-23-10-3-5-15-13-16(7-8-17(15)23)22-19(20)18-6-4-12-24-18;;/h4,6-8,12-14,21H,3,5,9-11H2,1-2H3,(H2,20,22);2*1H
InChIKeyNNSCXYJSOBKDHJ-UHFFFAOYSA-N
MW415.43 g/mol
LogP4.38
Rot. Bonds6

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

N'-[1-[2-(propan-2-ylamino)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;dihydrochloride (PubChem CID 57341334) has the molecular formula C19H28Cl2N4S and a molecular weight of 415.43 g/mol. Its IUPAC name is N'-[1-[2-(propan-2-ylamino)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;dihydrochloride.

Molecular Properties

Compound NameN'-[1-[2-(propan-2-ylamino)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;dihydrochloride
PubChem CID57341334
Molecular FormulaC19H28Cl2N4S
Molecular Weight415.43 g/mol
Exact Mass414.14
IUPAC NameN'-[1-[2-(propan-2-ylamino)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;dihydrochloride
SMILESCC(C)NCCN1CCCc2cc(/N=C(\N)c3cccs3)ccc21.Cl.Cl
InChIInChI=1S/C19H26N4S.2ClH/c1-14(2)21-9-11-23-10-3-5-15-13-16(7-8-17(15)23)22-19(20)18-6-4-12-24-18;;/h4,6-8,12-14,21H,3,5,9-11H2,1-2H3,(H2,20,22);2*1H
InChIKeyNNSCXYJSOBKDHJ-UHFFFAOYSA-N
XLogP4.38
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 54.38
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'}

Analyze N'-[1-[2-(propan-2-ylamino)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;dihydrochloride 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

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-[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
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
N'-[1-[2-[2-hydroxyethyl(methyl)amino]ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;dihydrochloride
CID 57341143
N'-[1-[3-(methylamino)propyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;dihydrochloride
CID 57341332

Frequently Asked Questions

What is the IUPAC name of N'-[1-[2-(propan-2-ylamino)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;dihydrochloride?
The IUPAC name of N'-[1-[2-(propan-2-ylamino)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;dihydrochloride (CID 57341334) is N'-[1-[2-(propan-2-ylamino)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;dihydrochloride.
What is the SMILES notation for N'-[1-[2-(propan-2-ylamino)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;dihydrochloride?
The canonical SMILES for N'-[1-[2-(propan-2-ylamino)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;dihydrochloride is CC(C)NCCN1CCCc2cc(/N=C(\N)c3cccs3)ccc21.Cl.Cl.
What is the InChIKey of N'-[1-[2-(propan-2-ylamino)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;dihydrochloride?
The InChIKey is NNSCXYJSOBKDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4S.2ClH/c1-14(2)21-9-11-23-10-3-5-15-13-16(7-8-17(15)23)22-19(20)18-6-4-12-24-18;;/h4,6-8,12-14,21H,3,5,9-11H2,1-2H3,(H2,20,22);2*1H.
What are the key properties of N'-[1-[2-(propan-2-ylamino)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;dihydrochloride?
N'-[1-[2-(propan-2-ylamino)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;dihydrochloride has a molecular weight of 415.43 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[2-(propan-2-ylamino)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;dihydrochloride is sourced from PubChem (CID 57341334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).