1-(3-ethylphenyl)-2-(quinolin-4-ylmethyl)guanidine

C19H20N4 — CID 111751910

IUPAC1-(3-ethylphenyl)-2-(quinolin-4-ylmethyl)guanidine
SMILESCCc1cccc(N/C(N)=N/Cc2ccnc3ccccc23)c1
InChIInChI=1S/C19H20N4/c1-2-14-6-5-7-16(12-14)23-19(20)22-13-15-10-11-21-18-9-4-3-8-17(15)18/h3-12H,2,13H2,1H3,(H3,20,22,23)
InChIKeyIFFUNMNLZMMJGP-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.72
Rot. Bonds4

About 1-(3-ethylphenyl)-2-(quinolin-4-ylmethyl)guanidine

1-(3-ethylphenyl)-2-(quinolin-4-ylmethyl)guanidine (PubChem CID 111751910) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-2-(quinolin-4-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(3-ethylphenyl)-2-(quinolin-4-ylmethyl)guanidine
PubChem CID111751910
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name1-(3-ethylphenyl)-2-(quinolin-4-ylmethyl)guanidine
SMILESCCc1cccc(N/C(N)=N/Cc2ccnc3ccccc23)c1
InChIInChI=1S/C19H20N4/c1-2-14-6-5-7-16(12-14)23-19(20)22-13-15-10-11-21-18-9-4-3-8-17(15)18/h3-12H,2,13H2,1H3,(H3,20,22,23)
InChIKeyIFFUNMNLZMMJGP-UHFFFAOYSA-N
XLogP3.72
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.72
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

2-[(2-ethoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine
CID 111050738
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111034476
1-(3-ethylphenyl)-2-[[2-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111053940
2-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111055882
2-[(2-butoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine
CID 111083455
2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111036299
2-[(4-bromophenyl)methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111800437
1-(3-ethylphenyl)-2-[[2-(methylsulfonylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111799731
1-(3-ethylphenyl)-2-[(3-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111045961
2-[(1-benzylimidazol-2-yl)methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111817135
2-[[4-(ethoxymethyl)phenyl]methyl]-1-(3-ethylphenyl)guanidine
CID 111054127
1-(3-ethylphenyl)-2-[(2-hydroxy-3-methoxyphenyl)methyl]guanidine
CID 111099962

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-2-(quinolin-4-ylmethyl)guanidine?
The IUPAC name of 1-(3-ethylphenyl)-2-(quinolin-4-ylmethyl)guanidine (CID 111751910) is 1-(3-ethylphenyl)-2-(quinolin-4-ylmethyl)guanidine.
What is the SMILES notation for 1-(3-ethylphenyl)-2-(quinolin-4-ylmethyl)guanidine?
The canonical SMILES for 1-(3-ethylphenyl)-2-(quinolin-4-ylmethyl)guanidine is CCc1cccc(N/C(N)=N/Cc2ccnc3ccccc23)c1.
What is the InChIKey of 1-(3-ethylphenyl)-2-(quinolin-4-ylmethyl)guanidine?
The InChIKey is IFFUNMNLZMMJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-2-14-6-5-7-16(12-14)23-19(20)22-13-15-10-11-21-18-9-4-3-8-17(15)18/h3-12H,2,13H2,1H3,(H3,20,22,23).
What are the key properties of 1-(3-ethylphenyl)-2-(quinolin-4-ylmethyl)guanidine?
1-(3-ethylphenyl)-2-(quinolin-4-ylmethyl)guanidine has a molecular weight of 304.40 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-2-(quinolin-4-ylmethyl)guanidine is sourced from PubChem (CID 111751910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).