1-(3-methylphenyl)-2-(2-oxochromen-8-yl)guanidine

C17H15N3O2 — CID 18751915

IUPAC1-(3-methylphenyl)-2-(2-oxochromen-8-yl)guanidine
SMILESCc1cccc(N/C(N)=N/c2cccc3ccc(=O)oc23)c1
InChIInChI=1S/C17H15N3O2/c1-11-4-2-6-13(10-11)19-17(18)20-14-7-3-5-12-8-9-15(21)22-16(12)14/h2-10H,1H3,(H3,18,19,20)
InChIKeyABBSEDAQYTWCFQ-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.16
Rot. Bonds2

About 1-(3-methylphenyl)-2-(2-oxochromen-8-yl)guanidine

1-(3-methylphenyl)-2-(2-oxochromen-8-yl)guanidine (PubChem CID 18751915) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-(3-methylphenyl)-2-(2-oxochromen-8-yl)guanidine.

Molecular Properties

Compound Name1-(3-methylphenyl)-2-(2-oxochromen-8-yl)guanidine
PubChem CID18751915
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name1-(3-methylphenyl)-2-(2-oxochromen-8-yl)guanidine
SMILESCc1cccc(N/C(N)=N/c2cccc3ccc(=O)oc23)c1
InChIInChI=1S/C17H15N3O2/c1-11-4-2-6-13(10-11)19-17(18)20-14-7-3-5-12-8-9-15(21)22-16(12)14/h2-10H,1H3,(H3,18,19,20)
InChIKeyABBSEDAQYTWCFQ-UHFFFAOYSA-N
XLogP3.16
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(3-methylphenyl)guanidine
CID 137276879
1-(3-ethylphenyl)-1-methyl-2-(2-oxochromen-8-yl)guanidine;hydrochloride
CID 21191524
2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine
CID 10587917
2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
CID 45265059
1-[3-(1-hydroxyethyl)phenyl]-2-naphthalen-1-ylguanidine
CID 18751970
1-(3-ethylphenyl)-2-(7-fluoronaphthalen-1-yl)guanidine
CID 18751798
N-(3-methylphenyl)acetamide
CID 10843
2-[4-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]-1-(3-methylphenyl)guanidine
CID 135838337
2-(3-hydroxypropyl)-1-(3-methylphenyl)guanidine
CID 111023654
2-(2-methylcyclopropyl)-1-(3-methylphenyl)guanidine
CID 119119381
2-(3-methylanilino)-2-sulfanylideneacetamide
CID 17385629
2-butyl-1-(3-methylphenyl)guanidine;hydroiodide
CID 111023150

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-2-(2-oxochromen-8-yl)guanidine?
The IUPAC name of 1-(3-methylphenyl)-2-(2-oxochromen-8-yl)guanidine (CID 18751915) is 1-(3-methylphenyl)-2-(2-oxochromen-8-yl)guanidine.
What is the SMILES notation for 1-(3-methylphenyl)-2-(2-oxochromen-8-yl)guanidine?
The canonical SMILES for 1-(3-methylphenyl)-2-(2-oxochromen-8-yl)guanidine is Cc1cccc(N/C(N)=N/c2cccc3ccc(=O)oc23)c1.
What is the InChIKey of 1-(3-methylphenyl)-2-(2-oxochromen-8-yl)guanidine?
The InChIKey is ABBSEDAQYTWCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11-4-2-6-13(10-11)19-17(18)20-14-7-3-5-12-8-9-15(21)22-16(12)14/h2-10H,1H3,(H3,18,19,20).
What are the key properties of 1-(3-methylphenyl)-2-(2-oxochromen-8-yl)guanidine?
1-(3-methylphenyl)-2-(2-oxochromen-8-yl)guanidine has a molecular weight of 293.33 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-2-(2-oxochromen-8-yl)guanidine is sourced from PubChem (CID 18751915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).