4-[(E)-2-[4-(4-chloroanilino)quinazolin-2-yl]ethenyl]phenol

C22H16ClN3O — CID 162677781

IUPAC4-[(E)-2-[4-(4-chloroanilino)quinazolin-2-yl]ethenyl]phenol
SMILESOc1ccc(/C=C/c2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C22H16ClN3O/c23-16-8-10-17(11-9-16)24-22-19-3-1-2-4-20(19)25-21(26-22)14-7-15-5-12-18(27)13-6-15/h1-14,27H,(H,24,25,26)/b14-7+
InChIKeyLOZMUZKBLRAOBG-VGOFMYFVSA-N
MW373.84 g/mol
LogP5.90
Rot. Bonds4

About 4-[(E)-2-[4-(4-chloroanilino)quinazolin-2-yl]ethenyl]phenol

4-[(E)-2-[4-(4-chloroanilino)quinazolin-2-yl]ethenyl]phenol (PubChem CID 162677781) has the molecular formula C22H16ClN3O and a molecular weight of 373.84 g/mol. Its IUPAC name is 4-[(E)-2-[4-(4-chloroanilino)quinazolin-2-yl]ethenyl]phenol.

Molecular Properties

Compound Name4-[(E)-2-[4-(4-chloroanilino)quinazolin-2-yl]ethenyl]phenol
PubChem CID162677781
Molecular FormulaC22H16ClN3O
Molecular Weight373.84 g/mol
Exact Mass373.10
IUPAC Name4-[(E)-2-[4-(4-chloroanilino)quinazolin-2-yl]ethenyl]phenol
SMILESOc1ccc(/C=C/c2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C22H16ClN3O/c23-16-8-10-17(11-9-16)24-22-19-3-1-2-4-20(19)25-21(26-22)14-7-15-5-12-18(27)13-6-15/h1-14,27H,(H,24,25,26)/b14-7+
InChIKeyLOZMUZKBLRAOBG-VGOFMYFVSA-N
XLogP5.90
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.84
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-amine
CID 162677755
4-[(2-chloroquinazolin-4-yl)amino]phenol
CID 22692945
2-chloro-N-(4-chlorophenyl)quinazolin-4-amine
CID 22692704
2-N-(4-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720832
N'-[2-[2-(4-chlorophenyl)ethenyl]quinazolin-4-yl]octane-1,8-diamine
CID 69150856
N'-[2-[2-(4-chlorophenyl)ethenyl]quinazolin-4-yl]pentane-1,5-diamine;dihydrochloride
CID 69150434
2-[3-[[2-[(E)-2-(4-chlorophenyl)ethenyl]quinazolin-4-yl]amino]propyl]guanidine
CID 22667933
4-[(E)-2-(4-chlorophenyl)ethenyl]phenol
CID 5376643
4-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]phenol
CID 54556640
2,4,6-tris[(E)-2-(4-chlorophenyl)ethenyl]-1,3,5-triazine
CID 6434075
2-[2-[[2-[(Z)-2-(4-chlorophenyl)ethenyl]-6-hydroxyquinazolin-4-yl]amino]cyclohexyl]guanidine
CID 69026220
2-[2-[[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-hydroxyquinazolin-4-yl]amino]cyclohexyl]guanidine;dihydrochloride
CID 22668004

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-(4-chloroanilino)quinazolin-2-yl]ethenyl]phenol?
The IUPAC name of 4-[(E)-2-[4-(4-chloroanilino)quinazolin-2-yl]ethenyl]phenol (CID 162677781) is 4-[(E)-2-[4-(4-chloroanilino)quinazolin-2-yl]ethenyl]phenol.
What is the SMILES notation for 4-[(E)-2-[4-(4-chloroanilino)quinazolin-2-yl]ethenyl]phenol?
The canonical SMILES for 4-[(E)-2-[4-(4-chloroanilino)quinazolin-2-yl]ethenyl]phenol is Oc1ccc(/C=C/c2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)cc1.
What is the InChIKey of 4-[(E)-2-[4-(4-chloroanilino)quinazolin-2-yl]ethenyl]phenol?
The InChIKey is LOZMUZKBLRAOBG-VGOFMYFVSA-N. The full InChI is InChI=1S/C22H16ClN3O/c23-16-8-10-17(11-9-16)24-22-19-3-1-2-4-20(19)25-21(26-22)14-7-15-5-12-18(27)13-6-15/h1-14,27H,(H,24,25,26)/b14-7+.
What are the key properties of 4-[(E)-2-[4-(4-chloroanilino)quinazolin-2-yl]ethenyl]phenol?
4-[(E)-2-[4-(4-chloroanilino)quinazolin-2-yl]ethenyl]phenol has a molecular weight of 373.84 g/mol, XLogP of 5.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-(4-chloroanilino)quinazolin-2-yl]ethenyl]phenol is sourced from PubChem (CID 162677781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).