N'-[1-[2-(methylamino)ethyl]-2-methylidene-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide

C18H22N4S — CID 59807080

IUPACN'-[1-[2-(methylamino)ethyl]-2-methylidene-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide
SMILESC=C1CCc2cc(/N=C(\N)c3cccs3)ccc2N1CCNC
InChIInChI=1S/C18H22N4S/c1-13-5-6-14-12-15(21-18(19)17-4-3-11-23-17)7-8-16(14)22(13)10-9-20-2/h3-4,7-8,11-12,20H,1,5-6,9-10H2,2H3,(H2,19,21)
InChIKeyFTAUKXVGOJOSJH-UHFFFAOYSA-N
MW326.47 g/mol
LogP3.27
Rot. Bonds5

About N'-[1-[2-(methylamino)ethyl]-2-methylidene-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide

N'-[1-[2-(methylamino)ethyl]-2-methylidene-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide (PubChem CID 59807080) has the molecular formula C18H22N4S and a molecular weight of 326.47 g/mol. Its IUPAC name is N'-[1-[2-(methylamino)ethyl]-2-methylidene-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[1-[2-(methylamino)ethyl]-2-methylidene-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide
PubChem CID59807080
Molecular FormulaC18H22N4S
Molecular Weight326.47 g/mol
Exact Mass326.16
IUPAC NameN'-[1-[2-(methylamino)ethyl]-2-methylidene-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide
SMILESC=C1CCc2cc(/N=C(\N)c3cccs3)ccc2N1CCNC
InChIInChI=1S/C18H22N4S/c1-13-5-6-14-12-15(21-18(19)17-4-3-11-23-17)7-8-16(14)22(13)10-9-20-2/h3-4,7-8,11-12,20H,1,5-6,9-10H2,2H3,(H2,19,21)
InChIKeyFTAUKXVGOJOSJH-UHFFFAOYSA-N
XLogP3.27
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.27
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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Frequently Asked Questions

What is the IUPAC name of N'-[1-[2-(methylamino)ethyl]-2-methylidene-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide?
The IUPAC name of N'-[1-[2-(methylamino)ethyl]-2-methylidene-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide (CID 59807080) is N'-[1-[2-(methylamino)ethyl]-2-methylidene-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[1-[2-(methylamino)ethyl]-2-methylidene-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[1-[2-(methylamino)ethyl]-2-methylidene-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide is C=C1CCc2cc(/N=C(\N)c3cccs3)ccc2N1CCNC.
What is the InChIKey of N'-[1-[2-(methylamino)ethyl]-2-methylidene-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide?
The InChIKey is FTAUKXVGOJOSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4S/c1-13-5-6-14-12-15(21-18(19)17-4-3-11-23-17)7-8-16(14)22(13)10-9-20-2/h3-4,7-8,11-12,20H,1,5-6,9-10H2,2H3,(H2,19,21).
What are the key properties of N'-[1-[2-(methylamino)ethyl]-2-methylidene-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide?
N'-[1-[2-(methylamino)ethyl]-2-methylidene-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide has a molecular weight of 326.47 g/mol, XLogP of 3.27, 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]-2-methylidene-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide is sourced from PubChem (CID 59807080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).