1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-prop-2-ynylguanidine

C17H24N4 — CID 111850252

IUPAC1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N/Cc1ccc2c(c1)CCCN2C)NCC
InChIInChI=1S/C17H24N4/c1-4-10-19-17(18-5-2)20-13-14-8-9-16-15(12-14)7-6-11-21(16)3/h1,8-9,12H,5-7,10-11,13H2,2-3H3,(H2,18,19,20)
InChIKeyAZDAENQPODFIJE-UHFFFAOYSA-N
MW284.41 g/mol
LogP1.76
Rot. Bonds4

About 1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-prop-2-ynylguanidine

1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-prop-2-ynylguanidine (PubChem CID 111850252) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-prop-2-ynylguanidine.

Molecular Properties

Compound Name1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-prop-2-ynylguanidine
PubChem CID111850252
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N/Cc1ccc2c(c1)CCCN2C)NCC
InChIInChI=1S/C17H24N4/c1-4-10-19-17(18-5-2)20-13-14-8-9-16-15(12-14)7-6-11-21(16)3/h1,8-9,12H,5-7,10-11,13H2,2-3H3,(H2,18,19,20)
InChIKeyAZDAENQPODFIJE-UHFFFAOYSA-N
XLogP1.76
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(2-methylpropyl)guanidine
CID 111180753
1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-propan-2-ylguanidine
CID 111126917
tert-butyl N-[2-[[N-ethyl-N'-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111883736
1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine
CID 109419716
2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine
CID 110916631
1-ethyl-3-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine
CID 109445603
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine;hydroiodide
CID 109439362
1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111283494
N'-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111087751
2-[(4-cyanophenyl)methyl]-1-ethyl-3-prop-2-ynylguanidine
CID 111848883
1-ethyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-prop-2-ynylguanidine;hydroiodide
CID 111849897
2-[(3-cyanophenyl)methyl]-1-ethyl-3-prop-2-ynylguanidine;hydroiodide
CID 111850341

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-prop-2-ynylguanidine?
The IUPAC name of 1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-prop-2-ynylguanidine (CID 111850252) is 1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-prop-2-ynylguanidine.
What is the SMILES notation for 1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-prop-2-ynylguanidine?
The canonical SMILES for 1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-prop-2-ynylguanidine is C#CCN/C(=N/Cc1ccc2c(c1)CCCN2C)NCC.
What is the InChIKey of 1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-prop-2-ynylguanidine?
The InChIKey is AZDAENQPODFIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-4-10-19-17(18-5-2)20-13-14-8-9-16-15(12-14)7-6-11-21(16)3/h1,8-9,12H,5-7,10-11,13H2,2-3H3,(H2,18,19,20).
What are the key properties of 1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-prop-2-ynylguanidine?
1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-prop-2-ynylguanidine has a molecular weight of 284.41 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-prop-2-ynylguanidine is sourced from PubChem (CID 111850252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).