N-[amino-[(2-phenylquinolin-4-yl)amino]methylidene]-N'-methylmethanimidamide

C18H17N5 — CID 143002491

IUPACN-[amino-[(2-phenylquinolin-4-yl)amino]methylidene]-N'-methylmethanimidamide
SMILESC/N=C/N=C(\N)Nc1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C18H17N5/c1-20-12-21-18(19)23-17-11-16(13-7-3-2-4-8-13)22-15-10-6-5-9-14(15)17/h2-12H,1H3,(H3,19,20,21,22,23)
InChIKeyUIUDBURNLMZMBK-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.29
Rot. Bonds3

About N-[amino-[(2-phenylquinolin-4-yl)amino]methylidene]-N'-methylmethanimidamide

N-[amino-[(2-phenylquinolin-4-yl)amino]methylidene]-N'-methylmethanimidamide (PubChem CID 143002491) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[amino-[(2-phenylquinolin-4-yl)amino]methylidene]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[amino-[(2-phenylquinolin-4-yl)amino]methylidene]-N'-methylmethanimidamide
PubChem CID143002491
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC NameN-[amino-[(2-phenylquinolin-4-yl)amino]methylidene]-N'-methylmethanimidamide
SMILESC/N=C/N=C(\N)Nc1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C18H17N5/c1-20-12-21-18(19)23-17-11-16(13-7-3-2-4-8-13)22-15-10-6-5-9-14(15)17/h2-12H,1H3,(H3,19,20,21,22,23)
InChIKeyUIUDBURNLMZMBK-UHFFFAOYSA-N
XLogP3.29
TPSA75.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.29
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'}

Analyze N-[amino-[(2-phenylquinolin-4-yl)amino]methylidene]-N'-methylmethanimidamide 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

N-(2-phenylquinolin-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 56857585
2-[(2-phenylquinolin-4-yl)amino]ethanol;hydrochloride
CID 18432992
3-methyl-1-N-(2-phenylquinolin-4-yl)butane-1,3-diamine;dihydrochloride
CID 90459061
N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490
N-(2-carbamoyl-4,5-difluorophenyl)-2-phenylquinoline-4-carboxamide
CID 166336345
N,N'-bis(2-phenylquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531954
2-phenylquinolin-4-amine;hydrochloride
CID 134690731
2-phenylquinolin-4-amine;hydrate
CID 51057793
N-ethenyl-2-[4-(4-prop-1-en-2-ylphenyl)phenyl]quinolin-4-amine
CID 145465454
diaminomethylidene-[(2-phenylquinolin-4-yl)methyl]azanium chloride
CID 135665653
N-(4-bromophenyl)-2-phenylquinolin-4-amine;hydrochloride
CID 139593880
2-phenyl-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine
CID 139593926

Frequently Asked Questions

What is the IUPAC name of N-[amino-[(2-phenylquinolin-4-yl)amino]methylidene]-N'-methylmethanimidamide?
The IUPAC name of N-[amino-[(2-phenylquinolin-4-yl)amino]methylidene]-N'-methylmethanimidamide (CID 143002491) is N-[amino-[(2-phenylquinolin-4-yl)amino]methylidene]-N'-methylmethanimidamide.
What is the SMILES notation for N-[amino-[(2-phenylquinolin-4-yl)amino]methylidene]-N'-methylmethanimidamide?
The canonical SMILES for N-[amino-[(2-phenylquinolin-4-yl)amino]methylidene]-N'-methylmethanimidamide is C/N=C/N=C(\N)Nc1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-[amino-[(2-phenylquinolin-4-yl)amino]methylidene]-N'-methylmethanimidamide?
The InChIKey is UIUDBURNLMZMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-20-12-21-18(19)23-17-11-16(13-7-3-2-4-8-13)22-15-10-6-5-9-14(15)17/h2-12H,1H3,(H3,19,20,21,22,23).
What are the key properties of N-[amino-[(2-phenylquinolin-4-yl)amino]methylidene]-N'-methylmethanimidamide?
N-[amino-[(2-phenylquinolin-4-yl)amino]methylidene]-N'-methylmethanimidamide has a molecular weight of 303.37 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[(2-phenylquinolin-4-yl)amino]methylidene]-N'-methylmethanimidamide is sourced from PubChem (CID 143002491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).