N'-(2-phenylquinazolin-7-yl)ethanimidamide

C16H14N4 — CID 23085689

IUPACN'-(2-phenylquinazolin-7-yl)ethanimidamide
SMILESC/C(N)=N\c1ccc2cnc(-c3ccccc3)nc2c1
InChIInChI=1S/C16H14N4/c1-11(17)19-14-8-7-13-10-18-16(20-15(13)9-14)12-5-3-2-4-6-12/h2-10H,1H3,(H2,17,19)
InChIKeyNQMBUAWNESIIIC-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.31
Rot. Bonds2

About N'-(2-phenylquinazolin-7-yl)ethanimidamide

N'-(2-phenylquinazolin-7-yl)ethanimidamide (PubChem CID 23085689) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is N'-(2-phenylquinazolin-7-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(2-phenylquinazolin-7-yl)ethanimidamide
PubChem CID23085689
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC NameN'-(2-phenylquinazolin-7-yl)ethanimidamide
SMILESC/C(N)=N\c1ccc2cnc(-c3ccccc3)nc2c1
InChIInChI=1S/C16H14N4/c1-11(17)19-14-8-7-13-10-18-16(20-15(13)9-14)12-5-3-2-4-6-12/h2-10H,1H3,(H2,17,19)
InChIKeyNQMBUAWNESIIIC-UHFFFAOYSA-N
XLogP3.31
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.31
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-6-yl)ethanimidamide;dihydrochloride
CID 23085820
N'-[2-(3-chlorophenyl)quinazolin-6-yl]ethanimidamide
CID 68544894
7-methyl-2-phenylquinazoline
CID 102363369
2-phenylquinazoline-6,7-diol
CID 137014839
2-phenylquinazoline-7-carbonyl chloride
CID 169130790
2-phenylquinazoline
CID 158733567
N'-[2-[(E)-2-phenylethenyl]quinazolin-6-yl]ethanimidamide
CID 23085761
2,7-diphenylpyrido[3,2-d]pyrimidine;ethane;methanol
CID 159207035
N'-[2-(3,4-dichlorophenyl)quinolin-7-yl]ethanimidamide
CID 68545730
N'-(1-methyl-2-phenylindol-5-yl)ethanimidamide
CID 11242498
2-phenylquinazoline;1H-pyrrole
CID 162097748
(Z)-but-2-enedioic acid;N'-(2-phenyl-1,3-benzothiazol-6-yl)ethanimidamide
CID 68544111

Frequently Asked Questions

What is the IUPAC name of N'-(2-phenylquinazolin-7-yl)ethanimidamide?
The IUPAC name of N'-(2-phenylquinazolin-7-yl)ethanimidamide (CID 23085689) is N'-(2-phenylquinazolin-7-yl)ethanimidamide.
What is the SMILES notation for N'-(2-phenylquinazolin-7-yl)ethanimidamide?
The canonical SMILES for N'-(2-phenylquinazolin-7-yl)ethanimidamide is C/C(N)=N\c1ccc2cnc(-c3ccccc3)nc2c1.
What is the InChIKey of N'-(2-phenylquinazolin-7-yl)ethanimidamide?
The InChIKey is NQMBUAWNESIIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-11(17)19-14-8-7-13-10-18-16(20-15(13)9-14)12-5-3-2-4-6-12/h2-10H,1H3,(H2,17,19).
What are the key properties of N'-(2-phenylquinazolin-7-yl)ethanimidamide?
N'-(2-phenylquinazolin-7-yl)ethanimidamide has a molecular weight of 262.32 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-phenylquinazolin-7-yl)ethanimidamide is sourced from PubChem (CID 23085689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).