2-[methyl(thiophen-2-ylmethyl)amino]quinoline-4-carboximidamide

C16H16N4S — CID 63883954

IUPAC2-[methyl(thiophen-2-ylmethyl)amino]quinoline-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(N(C)Cc2cccs2)nc2ccccc12
InChIInChI=1S/C16H16N4S/c1-20(10-11-5-4-8-21-11)15-9-13(16(17)18)12-6-2-3-7-14(12)19-15/h2-9H,10H2,1H3,(H3,17,18)
InChIKeyRHGBKTVGHZISIJ-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.22
Rot. Bonds4

About 2-[methyl(thiophen-2-ylmethyl)amino]quinoline-4-carboximidamide

2-[methyl(thiophen-2-ylmethyl)amino]quinoline-4-carboximidamide (PubChem CID 63883954) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-[methyl(thiophen-2-ylmethyl)amino]quinoline-4-carboximidamide.

Molecular Properties

Compound Name2-[methyl(thiophen-2-ylmethyl)amino]quinoline-4-carboximidamide
PubChem CID63883954
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC Name2-[methyl(thiophen-2-ylmethyl)amino]quinoline-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(N(C)Cc2cccs2)nc2ccccc12
InChIInChI=1S/C16H16N4S/c1-20(10-11-5-4-8-21-11)15-9-13(16(17)18)12-6-2-3-7-14(12)19-15/h2-9H,10H2,1H3,(H3,17,18)
InChIKeyRHGBKTVGHZISIJ-UHFFFAOYSA-N
XLogP3.22
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.22
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

2-[methyl(oxan-4-yl)amino]quinoline-4-carboximidamide
CID 63883955
4,6-dimethyl-2-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carboximidamide
CID 61175593
2-[ethyl(2-methoxyethyl)amino]quinoline-4-carboximidamide
CID 63883578
3-fluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide
CID 43658312
2-methyl-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carbothioamide
CID 114767240
5-fluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzenecarboximidamide
CID 63290670
2-chloro-N-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 18208948
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 27827840
2-propoxyquinoline-4-carboximidamide
CID 63885122
3-[ethyl(thiophen-2-ylmethyl)amino]pyridazine-4-carboximidamide
CID 80513495
2-[ethyl(thiophen-2-ylmethyl)amino]-3-methylbenzenecarboximidamide
CID 107110111
2-[(2-methylpropan-2-yl)oxy]quinoline-4-carboximidamide
CID 63884548

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-2-ylmethyl)amino]quinoline-4-carboximidamide?
The IUPAC name of 2-[methyl(thiophen-2-ylmethyl)amino]quinoline-4-carboximidamide (CID 63883954) is 2-[methyl(thiophen-2-ylmethyl)amino]quinoline-4-carboximidamide.
What is the SMILES notation for 2-[methyl(thiophen-2-ylmethyl)amino]quinoline-4-carboximidamide?
The canonical SMILES for 2-[methyl(thiophen-2-ylmethyl)amino]quinoline-4-carboximidamide is [H]/N=C(\N)c1cc(N(C)Cc2cccs2)nc2ccccc12.
What is the InChIKey of 2-[methyl(thiophen-2-ylmethyl)amino]quinoline-4-carboximidamide?
The InChIKey is RHGBKTVGHZISIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S/c1-20(10-11-5-4-8-21-11)15-9-13(16(17)18)12-6-2-3-7-14(12)19-15/h2-9H,10H2,1H3,(H3,17,18).
What are the key properties of 2-[methyl(thiophen-2-ylmethyl)amino]quinoline-4-carboximidamide?
2-[methyl(thiophen-2-ylmethyl)amino]quinoline-4-carboximidamide has a molecular weight of 296.40 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-2-ylmethyl)amino]quinoline-4-carboximidamide is sourced from PubChem (CID 63883954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).