4-[1-(4-chlorophenyl)ethenoxy]-2-phenylquinazoline

C22H15ClN2O — CID 132573432

IUPAC4-[1-(4-chlorophenyl)ethenoxy]-2-phenylquinazoline
SMILESC=C(Oc1nc(-c2ccccc2)nc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C22H15ClN2O/c1-15(16-11-13-18(23)14-12-16)26-22-19-9-5-6-10-20(19)24-21(25-22)17-7-3-2-4-8-17/h2-14H,1H2
InChIKeyVLJKXBZCMHAUIQ-UHFFFAOYSA-N
MW358.83 g/mol
LogP6.00
Rot. Bonds4

About 4-[1-(4-chlorophenyl)ethenoxy]-2-phenylquinazoline

4-[1-(4-chlorophenyl)ethenoxy]-2-phenylquinazoline (PubChem CID 132573432) has the molecular formula C22H15ClN2O and a molecular weight of 358.83 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)ethenoxy]-2-phenylquinazoline.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)ethenoxy]-2-phenylquinazoline
PubChem CID132573432
Molecular FormulaC22H15ClN2O
Molecular Weight358.83 g/mol
Exact Mass358.09
IUPAC Name4-[1-(4-chlorophenyl)ethenoxy]-2-phenylquinazoline
SMILESC=C(Oc1nc(-c2ccccc2)nc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C22H15ClN2O/c1-15(16-11-13-18(23)14-12-16)26-22-19-9-5-6-10-20(19)24-21(25-22)17-7-3-2-4-8-17/h2-14H,1H2
InChIKeyVLJKXBZCMHAUIQ-UHFFFAOYSA-N
XLogP6.00
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.83
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-[1-(4-fluorophenyl)ethenoxy]-2-phenylquinazoline
CID 132573431
2-phenyl-4-[1-[4-(trifluoromethyl)phenyl]ethenoxy]quinazoline
CID 132573440
2-(4-chlorophenyl)-4-[(4-chlorophenyl)methoxy]quinazoline
CID 23852658
2-(4-chlorophenyl)-N,N-diethylquinazolin-4-amine
CID 899344
ethyl 2-(2-phenylquinazolin-4-yl)oxyacetate
CID 741296
1-(4-chlorophenyl)-2-(2-methylsulfanylquinazolin-4-yl)oxyethanone
CID 95923404
4-(4-chlorophenyl)-2-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidine
CID 167485118
4-chloro-2-[(2-phenylquinazolin-4-yl)amino]phenol;hydrochloride
CID 18593652
3-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]propanoic acid
CID 7728857
3-(4-chlorophenyl)-N-methyl-N-(2-phenylquinazolin-4-yl)-1,2-oxazol-5-amine
CID 141435836
2-(4-chlorophenyl)-4-phenyl-6-[4-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425266
4,7-dichloro-2-(4-phenylphenyl)quinazoline
CID 87604357

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)ethenoxy]-2-phenylquinazoline?
The IUPAC name of 4-[1-(4-chlorophenyl)ethenoxy]-2-phenylquinazoline (CID 132573432) is 4-[1-(4-chlorophenyl)ethenoxy]-2-phenylquinazoline.
What is the SMILES notation for 4-[1-(4-chlorophenyl)ethenoxy]-2-phenylquinazoline?
The canonical SMILES for 4-[1-(4-chlorophenyl)ethenoxy]-2-phenylquinazoline is C=C(Oc1nc(-c2ccccc2)nc2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of 4-[1-(4-chlorophenyl)ethenoxy]-2-phenylquinazoline?
The InChIKey is VLJKXBZCMHAUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O/c1-15(16-11-13-18(23)14-12-16)26-22-19-9-5-6-10-20(19)24-21(25-22)17-7-3-2-4-8-17/h2-14H,1H2.
What are the key properties of 4-[1-(4-chlorophenyl)ethenoxy]-2-phenylquinazoline?
4-[1-(4-chlorophenyl)ethenoxy]-2-phenylquinazoline has a molecular weight of 358.83 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)ethenoxy]-2-phenylquinazoline is sourced from PubChem (CID 132573432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).