1-amino-2-ethyl-3-quinolin-8-ylguanidine

C12H15N5 — CID 116511596

IUPAC1-amino-2-ethyl-3-quinolin-8-ylguanidine
SMILESCC/N=C(\NN)Nc1cccc2cccnc12
InChIInChI=1S/C12H15N5/c1-2-14-12(17-13)16-10-7-3-5-9-6-4-8-15-11(9)10/h3-8H,2,13H2,1H3,(H2,14,16,17)
InChIKeySASZOTHPVBBHHQ-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.49
Rot. Bonds2

About 1-amino-2-ethyl-3-quinolin-8-ylguanidine

1-amino-2-ethyl-3-quinolin-8-ylguanidine (PubChem CID 116511596) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 1-amino-2-ethyl-3-quinolin-8-ylguanidine.

Molecular Properties

Compound Name1-amino-2-ethyl-3-quinolin-8-ylguanidine
PubChem CID116511596
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name1-amino-2-ethyl-3-quinolin-8-ylguanidine
SMILESCC/N=C(\NN)Nc1cccc2cccnc12
InChIInChI=1S/C12H15N5/c1-2-14-12(17-13)16-10-7-3-5-9-6-4-8-15-11(9)10/h3-8H,2,13H2,1H3,(H2,14,16,17)
InChIKeySASZOTHPVBBHHQ-UHFFFAOYSA-N
XLogP1.49
TPSA75.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-oxo-2-(quinolin-8-ylamino)acetate
CID 10421911
1-propyl-3-quinolin-8-ylurea
CID 13078451
(2R)-2-amino-N-quinolin-8-ylpentanamide
CID 103813268
1-amino-2-methyl-3-(quinolin-8-ylmethyl)guanidine
CID 116510984
1-(2,6-diethylphenyl)-3-quinolin-8-ylthiourea
CID 23732072
N-quinolin-8-ylhex-3-enamide
CID 151663814
N-quinolin-8-ylhydroxylamine
CID 22011433
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
N-quinolin-8-ylundecanamide
CID 3567928
benzo[h]quinolin-10-ylhydrazine
CID 126501298
ethyl 4-[3-oxo-3-(quinolin-8-ylamino)propanoyl]piperazine-1-carboxylate
CID 108950376
1-amino-2-methyl-3-(2-quinolin-8-ylethyl)guanidine
CID 116510983

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-ethyl-3-quinolin-8-ylguanidine?
The IUPAC name of 1-amino-2-ethyl-3-quinolin-8-ylguanidine (CID 116511596) is 1-amino-2-ethyl-3-quinolin-8-ylguanidine.
What is the SMILES notation for 1-amino-2-ethyl-3-quinolin-8-ylguanidine?
The canonical SMILES for 1-amino-2-ethyl-3-quinolin-8-ylguanidine is CC/N=C(\NN)Nc1cccc2cccnc12.
What is the InChIKey of 1-amino-2-ethyl-3-quinolin-8-ylguanidine?
The InChIKey is SASZOTHPVBBHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-2-14-12(17-13)16-10-7-3-5-9-6-4-8-15-11(9)10/h3-8H,2,13H2,1H3,(H2,14,16,17).
What are the key properties of 1-amino-2-ethyl-3-quinolin-8-ylguanidine?
1-amino-2-ethyl-3-quinolin-8-ylguanidine has a molecular weight of 229.29 g/mol, XLogP of 1.49, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-ethyl-3-quinolin-8-ylguanidine is sourced from PubChem (CID 116511596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).