1-(3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine

C18H20N4O — CID 111823603

IUPAC1-(3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine
SMILESCc1cccc(N/C(N)=N/CC2CC(=O)Nc3ccccc32)c1
InChIInChI=1S/C18H20N4O/c1-12-5-4-6-14(9-12)21-18(19)20-11-13-10-17(23)22-16-8-3-2-7-15(13)16/h2-9,13H,10-11H2,1H3,(H,22,23)(H3,19,20,21)
InChIKeySGOSHRUVLIQXLK-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.85
Rot. Bonds3

About 1-(3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine

1-(3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine (PubChem CID 111823603) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-(3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine
PubChem CID111823603
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name1-(3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine
SMILESCc1cccc(N/C(N)=N/CC2CC(=O)Nc3ccccc32)c1
InChIInChI=1S/C18H20N4O/c1-12-5-4-6-14(9-12)21-18(19)20-11-13-10-17(23)22-16-8-3-2-7-15(13)16/h2-9,13H,10-11H2,1H3,(H,22,23)(H3,19,20,21)
InChIKeySGOSHRUVLIQXLK-UHFFFAOYSA-N
XLogP2.85
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxyphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine
CID 111823663
1-(3-chloro-4-methoxyphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine;hydroiodide
CID 111823642
1-(4-butan-2-ylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine
CID 111823665
1-(3-methylbutyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine
CID 111823631
1-[1-(2,4-dichlorophenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine;hydroiodide
CID 111823644
3-ethyl-1,1-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine
CID 86780927
2-(2-methylpropyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine
CID 111823615
N-(2,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42930651
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(3-methylphenyl)guanidine;hydroiodide
CID 111026754
2-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)guanidine
CID 119147683
N-[2-[[amino-(3-methylanilino)methylidene]amino]ethyl]acetamide;hydroiodide
CID 111027903
2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111074876

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine?
The IUPAC name of 1-(3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine (CID 111823603) is 1-(3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine.
What is the SMILES notation for 1-(3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine?
The canonical SMILES for 1-(3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine is Cc1cccc(N/C(N)=N/CC2CC(=O)Nc3ccccc32)c1.
What is the InChIKey of 1-(3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine?
The InChIKey is SGOSHRUVLIQXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12-5-4-6-14(9-12)21-18(19)20-11-13-10-17(23)22-16-8-3-2-7-15(13)16/h2-9,13H,10-11H2,1H3,(H,22,23)(H3,19,20,21).
What are the key properties of 1-(3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine?
1-(3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine has a molecular weight of 308.39 g/mol, XLogP of 2.85, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine is sourced from PubChem (CID 111823603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).