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

C21H28N4OS — CID 25014790

IUPACN'-[1-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc2c(c1)CCCN2CCCN1CCOCC1)c1cccs1
InChIInChI=1S/C21H28N4OS/c22-21(20-5-2-15-27-20)23-18-6-7-19-17(16-18)4-1-9-25(19)10-3-8-24-11-13-26-14-12-24/h2,5-7,15-16H,1,3-4,8-14H2,(H2,22,23)
InChIKeyNQCSVPBYGIUXDI-UHFFFAOYSA-N
MW384.55 g/mol
LogP3.26
Rot. Bonds6

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

N'-[1-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide (PubChem CID 25014790) has the molecular formula C21H28N4OS and a molecular weight of 384.55 g/mol. Its IUPAC name is N'-[1-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[1-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide
PubChem CID25014790
Molecular FormulaC21H28N4OS
Molecular Weight384.55 g/mol
Exact Mass384.20
IUPAC NameN'-[1-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc2c(c1)CCCN2CCCN1CCOCC1)c1cccs1
InChIInChI=1S/C21H28N4OS/c22-21(20-5-2-15-27-20)23-18-6-7-19-17(16-18)4-1-9-25(19)10-3-8-24-11-13-26-14-12-24/h2,5-7,15-16H,1,3-4,8-14H2,(H2,22,23)
InChIKeyNQCSVPBYGIUXDI-UHFFFAOYSA-N
XLogP3.26
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'-[1-[3-(methylamino)propyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;dihydrochloride
CID 57341332
N'-[2-methylidene-1-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-7-yl]thiophene-2-carboximidamide
CID 59807124
tert-butyl N-[3-[6-[[amino(thiophen-2-yl)methylidene]amino]-3,4-dihydro-2H-quinolin-1-yl]propyl]-N-(2-hydroxyethyl)carbamate
CID 57341140
N'-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]-2,3,4,5-tetrahydro-1-benzazepin-7-yl]thiophene-2-carboximidamide;dihydrochloride
CID 90665100
N'-(1-piperidin-4-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride
CID 90665208
N'-[2-[2-(1,4-oxazepan-4-yl)ethylamino]-2,3-dihydro-1,3-benzothiazol-6-yl]thiophene-2-carboximidamide
CID 142858740
N'-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)thiophene-2-carboximidamide
CID 10199347
N'-[1-[2-(2-hydroxyethylamino)ethyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide
CID 56950064
4-[7-[[amino(thiophen-2-yl)methylidene]amino]-2,3,4,5-tetrahydro-1-benzazepin-1-yl]piperidine-1-carboxylic acid
CID 67492758
N'-[1-[2-(methylamino)ethyl]-2-methylidene-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide
CID 59807080
N'-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide
CID 53391875
N'-(2-benzyl-3,4-dihydro-1H-isoquinolin-7-yl)thiophene-2-carboximidamide
CID 23298450

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide?
The IUPAC name of N'-[1-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide (CID 25014790) is N'-[1-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[1-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[1-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide is N/C(=N\c1ccc2c(c1)CCCN2CCCN1CCOCC1)c1cccs1.
What is the InChIKey of N'-[1-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide?
The InChIKey is NQCSVPBYGIUXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4OS/c22-21(20-5-2-15-27-20)23-18-6-7-19-17(16-18)4-1-9-25(19)10-3-8-24-11-13-26-14-12-24/h2,5-7,15-16H,1,3-4,8-14H2,(H2,22,23).
What are the key properties of N'-[1-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide?
N'-[1-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide has a molecular weight of 384.55 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide is sourced from PubChem (CID 25014790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).