N'-(2-phenylquinazolin-6-yl)ethanimidamide;dihydrochloride

C16H16Cl2N4 — CID 23085820

IUPACN'-(2-phenylquinazolin-6-yl)ethanimidamide;dihydrochloride
SMILESC/C(N)=N\c1ccc2nc(-c3ccccc3)ncc2c1.Cl.Cl
InChIInChI=1S/C16H14N4.2ClH/c1-11(17)19-14-7-8-15-13(9-14)10-18-16(20-15)12-5-3-2-4-6-12;;/h2-10H,1H3,(H2,17,19);2*1H
InChIKeyIKPBWNXMUXYWHI-UHFFFAOYSA-N
MW335.24 g/mol
LogP4.15
Rot. Bonds2

About N'-(2-phenylquinazolin-6-yl)ethanimidamide;dihydrochloride

N'-(2-phenylquinazolin-6-yl)ethanimidamide;dihydrochloride (PubChem CID 23085820) has the molecular formula C16H16Cl2N4 and a molecular weight of 335.24 g/mol. Its IUPAC name is N'-(2-phenylquinazolin-6-yl)ethanimidamide;dihydrochloride.

Molecular Properties

Compound NameN'-(2-phenylquinazolin-6-yl)ethanimidamide;dihydrochloride
PubChem CID23085820
Molecular FormulaC16H16Cl2N4
Molecular Weight335.24 g/mol
Exact Mass334.08
IUPAC NameN'-(2-phenylquinazolin-6-yl)ethanimidamide;dihydrochloride
SMILESC/C(N)=N\c1ccc2nc(-c3ccccc3)ncc2c1.Cl.Cl
InChIInChI=1S/C16H14N4.2ClH/c1-11(17)19-14-7-8-15-13(9-14)10-18-16(20-15)12-5-3-2-4-6-12;;/h2-10H,1H3,(H2,17,19);2*1H
InChIKeyIKPBWNXMUXYWHI-UHFFFAOYSA-N
XLogP4.15
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N'-(2-phenylquinazolin-7-yl)ethanimidamide
CID 23085689
N'-[2-(3-chlorophenyl)quinazolin-6-yl]ethanimidamide
CID 68544894
N'-[2-[(E)-2-phenylethenyl]quinazolin-6-yl]ethanimidamide
CID 23085761
2-phenylquinazoline-6,7-diol
CID 137014839
2-phenylquinazoline
CID 158733567
(Z)-but-2-enedioic acid;N'-(2-phenyl-1,3-benzothiazol-6-yl)ethanimidamide
CID 68544111
7-methyl-2-phenylquinazoline
CID 102363369
N'-(1-methyl-2-phenylindol-5-yl)ethanimidamide
CID 11242498
3-(1-aminoethylideneamino)benzoic acid
CID 10775025
2,7-diphenylpyrido[3,2-d]pyrimidine;ethane;methanol
CID 159207035
2-phenylquinazoline-7-carbonyl chloride
CID 169130790
2-phenylquinazoline;1H-pyrrole
CID 162097748

Frequently Asked Questions

What is the IUPAC name of N'-(2-phenylquinazolin-6-yl)ethanimidamide;dihydrochloride?
The IUPAC name of N'-(2-phenylquinazolin-6-yl)ethanimidamide;dihydrochloride (CID 23085820) is N'-(2-phenylquinazolin-6-yl)ethanimidamide;dihydrochloride.
What is the SMILES notation for N'-(2-phenylquinazolin-6-yl)ethanimidamide;dihydrochloride?
The canonical SMILES for N'-(2-phenylquinazolin-6-yl)ethanimidamide;dihydrochloride is C/C(N)=N\c1ccc2nc(-c3ccccc3)ncc2c1.Cl.Cl.
What is the InChIKey of N'-(2-phenylquinazolin-6-yl)ethanimidamide;dihydrochloride?
The InChIKey is IKPBWNXMUXYWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4.2ClH/c1-11(17)19-14-7-8-15-13(9-14)10-18-16(20-15)12-5-3-2-4-6-12;;/h2-10H,1H3,(H2,17,19);2*1H.
What are the key properties of N'-(2-phenylquinazolin-6-yl)ethanimidamide;dihydrochloride?
N'-(2-phenylquinazolin-6-yl)ethanimidamide;dihydrochloride has a molecular weight of 335.24 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-phenylquinazolin-6-yl)ethanimidamide;dihydrochloride is sourced from PubChem (CID 23085820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).