1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine

C14H16N4 — CID 111751900

IUPAC1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine
SMILESN/C(=N\Cc1ccnc2ccccc12)NC1CC1
InChIInChI=1S/C14H16N4/c15-14(18-11-5-6-11)17-9-10-7-8-16-13-4-2-1-3-12(10)13/h1-4,7-8,11H,5-6,9H2,(H3,15,17,18)
InChIKeyUZQDRNBHZLWYIK-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.80
Rot. Bonds3

About 1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine

1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine (PubChem CID 111751900) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine
PubChem CID111751900
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine
SMILESN/C(=N\Cc1ccnc2ccccc12)NC1CC1
InChIInChI=1S/C14H16N4/c15-14(18-11-5-6-11)17-9-10-7-8-16-13-4-2-1-3-12(10)13/h1-4,7-8,11H,5-6,9H2,(H3,15,17,18)
InChIKeyUZQDRNBHZLWYIK-UHFFFAOYSA-N
XLogP1.80
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.80
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'}

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Related Compounds

ethyl 4-[[N'-(quinolin-4-ylmethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111751902
1-cyclopropyl-2-[(2-methylphenyl)methyl]guanidine
CID 62364183
2-[(2-chlorophenyl)methyl]-1-cyclopropylguanidine
CID 62364373
1-cyclopropyl-2-(pyridin-4-ylmethyl)guanidine
CID 62362184
1-cyclopropyl-2-[(3-methyl-4-pyridinyl)methyl]guanidine
CID 114700716
1-(3-ethylphenyl)-2-(quinolin-4-ylmethyl)guanidine
CID 111751910
1-(cyclopropylamino)-3-quinolin-4-ylpropan-2-one
CID 116555099
1-ethyl-3-(1-propylpiperidin-4-yl)-2-(quinolin-4-ylmethyl)guanidine;hydroiodide
CID 111968268
1,1-diethyl-2-(quinolin-4-ylmethyl)guanidine;hydroiodide
CID 111751877
1-cyclopropyl-2-[(4-ethyl-2-pyridinyl)methyl]guanidine
CID 122082620
1-cyclopropyl-2-[[2-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110914065
trans-(1R,2R)-N-cyclopropyl-2-quinolin-4-ylcyclopropane-1-carboxamide
CID 166272446

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine?
The IUPAC name of 1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine (CID 111751900) is 1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine.
What is the SMILES notation for 1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine?
The canonical SMILES for 1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine is N/C(=N\Cc1ccnc2ccccc12)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine?
The InChIKey is UZQDRNBHZLWYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c15-14(18-11-5-6-11)17-9-10-7-8-16-13-4-2-1-3-12(10)13/h1-4,7-8,11H,5-6,9H2,(H3,15,17,18).
What are the key properties of 1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine?
1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine has a molecular weight of 240.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine is sourced from PubChem (CID 111751900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).