3-[(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]-2-methylquinazolin-4-one

C22H16ClN3O2 — CID 52915607

IUPAC3-[(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1/N=C/c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H16ClN3O2/c1-15-25-21-5-3-2-4-20(21)22(27)26(15)24-14-16-6-10-18(11-7-16)28-19-12-8-17(23)9-13-19/h2-14H,1H3/b24-14+
InChIKeyVUSUURJISNOUSP-ZVHZXABRSA-N
MW389.84 g/mol
LogP5.03
Rot. Bonds4

About 3-[(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]-2-methylquinazolin-4-one

3-[(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]-2-methylquinazolin-4-one (PubChem CID 52915607) has the molecular formula C22H16ClN3O2 and a molecular weight of 389.84 g/mol. Its IUPAC name is 3-[(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]-2-methylquinazolin-4-one
PubChem CID52915607
Molecular FormulaC22H16ClN3O2
Molecular Weight389.84 g/mol
Exact Mass389.09
IUPAC Name3-[(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1/N=C/c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H16ClN3O2/c1-15-25-21-5-3-2-4-20(21)22(27)26(15)24-14-16-6-10-18(11-7-16)28-19-12-8-17(23)9-13-19/h2-14H,1H3/b24-14+
InChIKeyVUSUURJISNOUSP-ZVHZXABRSA-N
XLogP5.03
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.84
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 765405
3-[(E)-(4-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6863150
2-methyl-3-[(Z)-(4-pentoxyphenyl)methylideneamino]quinazolin-4-one
CID 9239429
3-[(3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 2643412
6-bromo-3-[(4-chlorophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 74406616
3-[(3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 2593639
2-methyl-3-[(E)-(3-methylphenyl)methylideneamino]quinazolin-4-one
CID 6906270
3-[(Z)-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-methylquinazolin-4-one
CID 7965531
2-methyl-3-(pyridin-3-ylmethylideneamino)quinazolin-4-one
CID 882703
2-[4-[(Z)-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetonitrile
CID 9294798
3-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 2463847
3-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one
CID 9239381

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]-2-methylquinazolin-4-one?
The IUPAC name of 3-[(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]-2-methylquinazolin-4-one (CID 52915607) is 3-[(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]-2-methylquinazolin-4-one is Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]-2-methylquinazolin-4-one?
The InChIKey is VUSUURJISNOUSP-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H16ClN3O2/c1-15-25-21-5-3-2-4-20(21)22(27)26(15)24-14-16-6-10-18(11-7-16)28-19-12-8-17(23)9-13-19/h2-14H,1H3/b24-14+.
What are the key properties of 3-[(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]-2-methylquinazolin-4-one?
3-[(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]-2-methylquinazolin-4-one has a molecular weight of 389.84 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]-2-methylquinazolin-4-one is sourced from PubChem (CID 52915607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).