2-(5-methoxy-4-phenylquinazolin-2-yl)guanidine;hydrochloride

C16H16ClN5O — CID 91992817

IUPAC2-(5-methoxy-4-phenylquinazolin-2-yl)guanidine;hydrochloride
SMILESCOc1cccc2nc(N=C(N)N)nc(-c3ccccc3)c12.Cl
InChIInChI=1S/C16H15N5O.ClH/c1-22-12-9-5-8-11-13(12)14(10-6-3-2-4-7-10)20-16(19-11)21-15(17)18;/h2-9H,1H3,(H4,17,18,19,20,21);1H
InChIKeyDIKZIMJEDVHQGQ-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.63
Rot. Bonds3

About 2-(5-methoxy-4-phenylquinazolin-2-yl)guanidine;hydrochloride

2-(5-methoxy-4-phenylquinazolin-2-yl)guanidine;hydrochloride (PubChem CID 91992817) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is 2-(5-methoxy-4-phenylquinazolin-2-yl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(5-methoxy-4-phenylquinazolin-2-yl)guanidine;hydrochloride
PubChem CID91992817
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC Name2-(5-methoxy-4-phenylquinazolin-2-yl)guanidine;hydrochloride
SMILESCOc1cccc2nc(N=C(N)N)nc(-c3ccccc3)c12.Cl
InChIInChI=1S/C16H15N5O.ClH/c1-22-12-9-5-8-11-13(12)14(10-6-3-2-4-7-10)20-16(19-11)21-15(17)18;/h2-9H,1H3,(H4,17,18,19,20,21);1H
InChIKeyDIKZIMJEDVHQGQ-UHFFFAOYSA-N
XLogP2.63
TPSA99.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.63
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'}

Analyze 2-(5-methoxy-4-phenylquinazolin-2-yl)guanidine;hydrochloride 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

methyl 5-methoxy-3-methyl-2-phenylquinoline-4-carboxylate
CID 141038832
8-methoxy-1-methyl-3-phenylisoquinolin-4-amine
CID 122424753
6,7-dimethoxy-2,3-diphenylquinoxaline
CID 1236458
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
methyl 2-amino-4-phenylquinazoline-5-carboxylate
CID 174554853
2-(4,5-diphenyl-1,3-thiazol-2-yl)guanidine;hydrochloride
CID 42945443
1,3-dimethoxy-2-phenylbenzene;hydrochloride
CID 175871248
4-amino-5-methoxy-2-methylquinoline-3-carboxylic acid
CID 54588453
2-(4,6-dimethylpyrimidin-2-yl)-1-(3-methoxy-4-phenylphenyl)guanidine
CID 11537543
2-[(2,6-dimethoxyphenyl)methyl]-1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)guanidine;hydrobromide
CID 67386436
3-methoxy-2-(2-phenylquinazolin-4-yl)aniline
CID 22397130
ethyl 2-(10-methoxyphenanthridin-6-yl)-2-methylpropanoate
CID 165176439

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-4-phenylquinazolin-2-yl)guanidine;hydrochloride?
The IUPAC name of 2-(5-methoxy-4-phenylquinazolin-2-yl)guanidine;hydrochloride (CID 91992817) is 2-(5-methoxy-4-phenylquinazolin-2-yl)guanidine;hydrochloride.
What is the SMILES notation for 2-(5-methoxy-4-phenylquinazolin-2-yl)guanidine;hydrochloride?
The canonical SMILES for 2-(5-methoxy-4-phenylquinazolin-2-yl)guanidine;hydrochloride is COc1cccc2nc(N=C(N)N)nc(-c3ccccc3)c12.Cl.
What is the InChIKey of 2-(5-methoxy-4-phenylquinazolin-2-yl)guanidine;hydrochloride?
The InChIKey is DIKZIMJEDVHQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O.ClH/c1-22-12-9-5-8-11-13(12)14(10-6-3-2-4-7-10)20-16(19-11)21-15(17)18;/h2-9H,1H3,(H4,17,18,19,20,21);1H.
What are the key properties of 2-(5-methoxy-4-phenylquinazolin-2-yl)guanidine;hydrochloride?
2-(5-methoxy-4-phenylquinazolin-2-yl)guanidine;hydrochloride has a molecular weight of 329.79 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-4-phenylquinazolin-2-yl)guanidine;hydrochloride is sourced from PubChem (CID 91992817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).