N'-[4-(quinolin-2-ylmethoxy)phenyl]thiophene-2-carboximidamide

C21H17N3OS — CID 18765745

IUPACN'-[4-(quinolin-2-ylmethoxy)phenyl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc(OCc2ccc3ccccc3n2)cc1)c1cccs1
InChIInChI=1S/C21H17N3OS/c22-21(20-6-3-13-26-20)24-16-9-11-18(12-10-16)25-14-17-8-7-15-4-1-2-5-19(15)23-17/h1-13H,14H2,(H2,22,24)
InChIKeyZERQZOZSNCEIRZ-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.91
Rot. Bonds5

About N'-[4-(quinolin-2-ylmethoxy)phenyl]thiophene-2-carboximidamide

N'-[4-(quinolin-2-ylmethoxy)phenyl]thiophene-2-carboximidamide (PubChem CID 18765745) has the molecular formula C21H17N3OS and a molecular weight of 359.45 g/mol. Its IUPAC name is N'-[4-(quinolin-2-ylmethoxy)phenyl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[4-(quinolin-2-ylmethoxy)phenyl]thiophene-2-carboximidamide
PubChem CID18765745
Molecular FormulaC21H17N3OS
Molecular Weight359.45 g/mol
Exact Mass359.11
IUPAC NameN'-[4-(quinolin-2-ylmethoxy)phenyl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc(OCc2ccc3ccccc3n2)cc1)c1cccs1
InChIInChI=1S/C21H17N3OS/c22-21(20-6-3-13-26-20)24-16-9-11-18(12-10-16)25-14-17-8-7-15-4-1-2-5-19(15)23-17/h1-13H,14H2,(H2,22,24)
InChIKeyZERQZOZSNCEIRZ-UHFFFAOYSA-N
XLogP4.91
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.91
H-Bond Donors ≤ 51
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

N'-[4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenoxy]phenyl]thiophene-2-carboximidamide
CID 11200925
N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide
CID 54405425
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
4-(quinolin-2-ylmethoxy)benzonitrile
CID 19844724
4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
2-[[4-(2-pyridin-4-ylethynyl)phenoxy]methyl]quinoline
CID 59797507
2-methyl-5-[(E)-1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole
CID 70169059
2-[[4-[[2-(chloromethyl)phenyl]methoxy]phenoxy]methyl]quinoline
CID 14650385
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 2747568
1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
CID 10792807
N'-amino-4-[[3-(quinolin-2-ylmethoxy)anilino]methyl]benzenecarboximidamide
CID 142223560

Frequently Asked Questions

What is the IUPAC name of N'-[4-(quinolin-2-ylmethoxy)phenyl]thiophene-2-carboximidamide?
The IUPAC name of N'-[4-(quinolin-2-ylmethoxy)phenyl]thiophene-2-carboximidamide (CID 18765745) is N'-[4-(quinolin-2-ylmethoxy)phenyl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[4-(quinolin-2-ylmethoxy)phenyl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[4-(quinolin-2-ylmethoxy)phenyl]thiophene-2-carboximidamide is N/C(=N\c1ccc(OCc2ccc3ccccc3n2)cc1)c1cccs1.
What is the InChIKey of N'-[4-(quinolin-2-ylmethoxy)phenyl]thiophene-2-carboximidamide?
The InChIKey is ZERQZOZSNCEIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3OS/c22-21(20-6-3-13-26-20)24-16-9-11-18(12-10-16)25-14-17-8-7-15-4-1-2-5-19(15)23-17/h1-13H,14H2,(H2,22,24).
What are the key properties of N'-[4-(quinolin-2-ylmethoxy)phenyl]thiophene-2-carboximidamide?
N'-[4-(quinolin-2-ylmethoxy)phenyl]thiophene-2-carboximidamide has a molecular weight of 359.45 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(quinolin-2-ylmethoxy)phenyl]thiophene-2-carboximidamide is sourced from PubChem (CID 18765745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).