2-benzyl-1-(6-methoxy-4-methylquinazolin-2-yl)guanidine

C18H19N5O — CID 6341571

IUPAC2-benzyl-1-(6-methoxy-4-methylquinazolin-2-yl)guanidine
SMILESCOc1ccc2nc(N/C(N)=N/Cc3ccccc3)nc(C)c2c1
InChIInChI=1S/C18H19N5O/c1-12-15-10-14(24-2)8-9-16(15)22-18(21-12)23-17(19)20-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyWXYYEKIAIXXGHM-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.87
Rot. Bonds4

About 2-benzyl-1-(6-methoxy-4-methylquinazolin-2-yl)guanidine

2-benzyl-1-(6-methoxy-4-methylquinazolin-2-yl)guanidine (PubChem CID 6341571) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-benzyl-1-(6-methoxy-4-methylquinazolin-2-yl)guanidine.

Molecular Properties

Compound Name2-benzyl-1-(6-methoxy-4-methylquinazolin-2-yl)guanidine
PubChem CID6341571
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-benzyl-1-(6-methoxy-4-methylquinazolin-2-yl)guanidine
SMILESCOc1ccc2nc(N/C(N)=N/Cc3ccccc3)nc(C)c2c1
InChIInChI=1S/C18H19N5O/c1-12-15-10-14(24-2)8-9-16(15)22-18(21-12)23-17(19)20-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyWXYYEKIAIXXGHM-UHFFFAOYSA-N
XLogP2.87
TPSA85.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-benzyl-1-(4-methoxyphenyl)guanidine
CID 100672982
2-[[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 110062228
1-(4-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine
CID 111063266
1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine
CID 56956540
1-(3-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 111063263
2-[(4-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111597475
[amino-[(6-ethoxy-4-methylquinazolin-2-yl)amino]methylidene]-[(3-methoxyphenyl)carbamothioyl]azanium
CID 2012445
1-(5-hydroxy-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine
CID 3013275
1-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111024356
1-(3-methoxyphenyl)-2-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111053736
1-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]guanidine
CID 111031398
2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-(3-methoxyphenyl)guanidine
CID 111808572

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(6-methoxy-4-methylquinazolin-2-yl)guanidine?
The IUPAC name of 2-benzyl-1-(6-methoxy-4-methylquinazolin-2-yl)guanidine (CID 6341571) is 2-benzyl-1-(6-methoxy-4-methylquinazolin-2-yl)guanidine.
What is the SMILES notation for 2-benzyl-1-(6-methoxy-4-methylquinazolin-2-yl)guanidine?
The canonical SMILES for 2-benzyl-1-(6-methoxy-4-methylquinazolin-2-yl)guanidine is COc1ccc2nc(N/C(N)=N/Cc3ccccc3)nc(C)c2c1.
What is the InChIKey of 2-benzyl-1-(6-methoxy-4-methylquinazolin-2-yl)guanidine?
The InChIKey is WXYYEKIAIXXGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-12-15-10-14(24-2)8-9-16(15)22-18(21-12)23-17(19)20-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H3,19,20,21,22,23).
What are the key properties of 2-benzyl-1-(6-methoxy-4-methylquinazolin-2-yl)guanidine?
2-benzyl-1-(6-methoxy-4-methylquinazolin-2-yl)guanidine has a molecular weight of 321.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(6-methoxy-4-methylquinazolin-2-yl)guanidine is sourced from PubChem (CID 6341571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).