1-ethyl-3-[2-(quinolin-2-ylamino)ethyl]-2-(thiophen-2-ylmethyl)guanidine

C19H23N5S — CID 111257215

IUPAC1-ethyl-3-[2-(quinolin-2-ylamino)ethyl]-2-(thiophen-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1cccs1)NCCNc1ccc2ccccc2n1
InChIInChI=1S/C19H23N5S/c1-2-20-19(23-14-16-7-5-13-25-16)22-12-11-21-18-10-9-15-6-3-4-8-17(15)24-18/h3-10,13H,2,11-12,14H2,1H3,(H,21,24)(H2,20,22,23)
InChIKeySVMOCTUYHBHEIC-UHFFFAOYSA-N
MW353.50 g/mol
LogP3.46
Rot. Bonds7

About 1-ethyl-3-[2-(quinolin-2-ylamino)ethyl]-2-(thiophen-2-ylmethyl)guanidine

1-ethyl-3-[2-(quinolin-2-ylamino)ethyl]-2-(thiophen-2-ylmethyl)guanidine (PubChem CID 111257215) has the molecular formula C19H23N5S and a molecular weight of 353.50 g/mol. Its IUPAC name is 1-ethyl-3-[2-(quinolin-2-ylamino)ethyl]-2-(thiophen-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(quinolin-2-ylamino)ethyl]-2-(thiophen-2-ylmethyl)guanidine
PubChem CID111257215
Molecular FormulaC19H23N5S
Molecular Weight353.50 g/mol
Exact Mass353.17
IUPAC Name1-ethyl-3-[2-(quinolin-2-ylamino)ethyl]-2-(thiophen-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1cccs1)NCCNc1ccc2ccccc2n1
InChIInChI=1S/C19H23N5S/c1-2-20-19(23-14-16-7-5-13-25-16)22-12-11-21-18-10-9-15-6-3-4-8-17(15)24-18/h3-10,13H,2,11-12,14H2,1H3,(H,21,24)(H2,20,22,23)
InChIKeySVMOCTUYHBHEIC-UHFFFAOYSA-N
XLogP3.46
TPSA61.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.50
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[(thiophen-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 3235425
Benzyl-(2-thiophen-2-yl-quinazolin-4-yl)-amine
CID 2573787
6-chloro-2-(4-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 25147772
1,2-Ethanediamine, N,N-dimethyl-N'-(2-(2-thienyl)-4-quinolinyl)-
CID 453074
N-tert-butyl-6-(thiophen-3-yl)-2-(trifluoromethyl)quinazolin-4-amine
CID 5330918
6-(Thiophen-3-Yl)quinolin-2-Amine
CID 53346492
3-(2-Thienyl)-2-quinolinamine
CID 1480775
N-methyl-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 2475524
N-(2-quinolinyl)-N'-(2-thienyl)urea
CID 2812961
4-(4-Methylpiperazin-1-yl)-2-thiophen-2-ylquinazoline
CID 2520263
2-(Pyridin-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 2474854
(2-Imidazol-1-yl-quinazolin-4-yl)-thiophen-2-ylmethyl-amine
CID 9995367

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(quinolin-2-ylamino)ethyl]-2-(thiophen-2-ylmethyl)guanidine?
The IUPAC name of 1-ethyl-3-[2-(quinolin-2-ylamino)ethyl]-2-(thiophen-2-ylmethyl)guanidine (CID 111257215) is 1-ethyl-3-[2-(quinolin-2-ylamino)ethyl]-2-(thiophen-2-ylmethyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(quinolin-2-ylamino)ethyl]-2-(thiophen-2-ylmethyl)guanidine?
The canonical SMILES for 1-ethyl-3-[2-(quinolin-2-ylamino)ethyl]-2-(thiophen-2-ylmethyl)guanidine is CCN/C(=N\Cc1cccs1)NCCNc1ccc2ccccc2n1.
What is the InChIKey of 1-ethyl-3-[2-(quinolin-2-ylamino)ethyl]-2-(thiophen-2-ylmethyl)guanidine?
The InChIKey is SVMOCTUYHBHEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5S/c1-2-20-19(23-14-16-7-5-13-25-16)22-12-11-21-18-10-9-15-6-3-4-8-17(15)24-18/h3-10,13H,2,11-12,14H2,1H3,(H,21,24)(H2,20,22,23).
What are the key properties of 1-ethyl-3-[2-(quinolin-2-ylamino)ethyl]-2-(thiophen-2-ylmethyl)guanidine?
1-ethyl-3-[2-(quinolin-2-ylamino)ethyl]-2-(thiophen-2-ylmethyl)guanidine has a molecular weight of 353.50 g/mol, XLogP of 3.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(quinolin-2-ylamino)ethyl]-2-(thiophen-2-ylmethyl)guanidine is sourced from PubChem (CID 111257215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).