N'-[2-[(E)-2-phenylethenyl]quinazolin-6-yl]ethanimidamide

C18H16N4 — CID 23085761

IUPACN'-[2-[(E)-2-phenylethenyl]quinazolin-6-yl]ethanimidamide
SMILESC/C(N)=N\c1ccc2nc(/C=C/c3ccccc3)ncc2c1
InChIInChI=1S/C18H16N4/c1-13(19)21-16-8-9-17-15(11-16)12-20-18(22-17)10-7-14-5-3-2-4-6-14/h2-12H,1H3,(H2,19,21)/b10-7+
InChIKeyHGYIXFVNBSUXPR-JXMROGBWSA-N
MW288.35 g/mol
LogP3.81
Rot. Bonds3

About N'-[2-[(E)-2-phenylethenyl]quinazolin-6-yl]ethanimidamide

N'-[2-[(E)-2-phenylethenyl]quinazolin-6-yl]ethanimidamide (PubChem CID 23085761) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is N'-[2-[(E)-2-phenylethenyl]quinazolin-6-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[2-[(E)-2-phenylethenyl]quinazolin-6-yl]ethanimidamide
PubChem CID23085761
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC NameN'-[2-[(E)-2-phenylethenyl]quinazolin-6-yl]ethanimidamide
SMILESC/C(N)=N\c1ccc2nc(/C=C/c3ccccc3)ncc2c1
InChIInChI=1S/C18H16N4/c1-13(19)21-16-8-9-17-15(11-16)12-20-18(22-17)10-7-14-5-3-2-4-6-14/h2-12H,1H3,(H2,19,21)/b10-7+
InChIKeyHGYIXFVNBSUXPR-JXMROGBWSA-N
XLogP3.81
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.81
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
N'-(2-phenylquinazolin-7-yl)ethanimidamide
CID 23085689
N'-(2-phenylethenyl)ethanimidamide
CID 54086557
3-ethyl-2-methyl-6-[(E)-2-phenylethenyl]quinoline
CID 21061110
acetic acid;stilbene
CID 172803728
3-(1-aminoethylideneamino)benzoic acid
CID 10775025
N'-(2-methyl-3H-benzimidazol-5-yl)ethanimidamide
CID 59210445
N'-(1-methyl-2-phenylindol-5-yl)ethanimidamide
CID 11242498
5-amino-2-[(E)-2-phenylethenyl]-6-[[(Z)-1-(2-propan-2-ylidenehydrazinyl)prop-1-enyl]amino]pyrimidine-4-carbaldehyde
CID 143436175
3-phenyl-1-quinazolin-2-ylprop-2-en-1-one
CID 174920996
tris(4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine);ruthenium
CID 156734955

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(E)-2-phenylethenyl]quinazolin-6-yl]ethanimidamide?
The IUPAC name of N'-[2-[(E)-2-phenylethenyl]quinazolin-6-yl]ethanimidamide (CID 23085761) is N'-[2-[(E)-2-phenylethenyl]quinazolin-6-yl]ethanimidamide.
What is the SMILES notation for N'-[2-[(E)-2-phenylethenyl]quinazolin-6-yl]ethanimidamide?
The canonical SMILES for N'-[2-[(E)-2-phenylethenyl]quinazolin-6-yl]ethanimidamide is C/C(N)=N\c1ccc2nc(/C=C/c3ccccc3)ncc2c1.
What is the InChIKey of N'-[2-[(E)-2-phenylethenyl]quinazolin-6-yl]ethanimidamide?
The InChIKey is HGYIXFVNBSUXPR-JXMROGBWSA-N. The full InChI is InChI=1S/C18H16N4/c1-13(19)21-16-8-9-17-15(11-16)12-20-18(22-17)10-7-14-5-3-2-4-6-14/h2-12H,1H3,(H2,19,21)/b10-7+.
What are the key properties of N'-[2-[(E)-2-phenylethenyl]quinazolin-6-yl]ethanimidamide?
N'-[2-[(E)-2-phenylethenyl]quinazolin-6-yl]ethanimidamide has a molecular weight of 288.35 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(E)-2-phenylethenyl]quinazolin-6-yl]ethanimidamide is sourced from PubChem (CID 23085761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).