2-cyclohexyl-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one

C28H25Cl2N3O2 — CID 126290795

IUPAC2-cyclohexyl-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one
SMILESO=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C28H25Cl2N3O2/c29-22-13-12-21(25(30)16-22)18-35-23-14-10-19(11-15-23)17-31-33-27(20-6-2-1-3-7-20)32-26-9-5-4-8-24(26)28(33)34/h4-5,8-17,20H,1-3,6-7,18H2
InChIKeyLZFVTSJTEOEBMX-UHFFFAOYSA-N
MW506.43 g/mol
LogP7.21
Rot. Bonds6

About 2-cyclohexyl-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one

2-cyclohexyl-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one (PubChem CID 126290795) has the molecular formula C28H25Cl2N3O2 and a molecular weight of 506.43 g/mol. Its IUPAC name is 2-cyclohexyl-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name2-cyclohexyl-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one
PubChem CID126290795
Molecular FormulaC28H25Cl2N3O2
Molecular Weight506.43 g/mol
Exact Mass505.13
IUPAC Name2-cyclohexyl-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one
SMILESO=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C28H25Cl2N3O2/c29-22-13-12-21(25(30)16-22)18-35-23-14-10-19(11-15-23)17-31-33-27(20-6-2-1-3-7-20)32-26-9-5-4-8-24(26)28(33)34/h4-5,8-17,20H,1-3,6-7,18H2
InChIKeyLZFVTSJTEOEBMX-UHFFFAOYSA-N
XLogP7.21
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.43
LogP ≤ 57.21
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-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-cyclohexylquinazolin-4-one
CID 126307309
3-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-cyclohexylquinazolin-4-one
CID 126302253
6-bromo-3-[[3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-cyclohexylquinazolin-4-one
CID 126333512
2-cyclohexyl-3-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one
CID 126312948
3-[[3-bromo-5-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-cyclohexylquinazolin-4-one
CID 126302100
2-[2,6-dichloro-4-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetic acid
CID 126298167
2-(5-chloro-1-benzofuran-2-yl)-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one
CID 126290897
2-cyclohexyl-3-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]quinazolin-4-one
CID 126294015
3-[(5-chloro-2-ethoxyphenyl)methylideneamino]-2-cyclohexylquinazolin-4-one
CID 126284783
propan-2-yl 2-[4-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetate
CID 126312277
(2R)-2-[4-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]propanoic acid
CID 126308878
3-[(3-chloro-4,5-diethoxyphenyl)methylideneamino]-2-cyclohexylquinazolin-4-one
CID 126307836

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one?
The IUPAC name of 2-cyclohexyl-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one (CID 126290795) is 2-cyclohexyl-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one.
What is the SMILES notation for 2-cyclohexyl-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one?
The canonical SMILES for 2-cyclohexyl-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one is O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-cyclohexyl-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one?
The InChIKey is LZFVTSJTEOEBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25Cl2N3O2/c29-22-13-12-21(25(30)16-22)18-35-23-14-10-19(11-15-23)17-31-33-27(20-6-2-1-3-7-20)32-26-9-5-4-8-24(26)28(33)34/h4-5,8-17,20H,1-3,6-7,18H2.
What are the key properties of 2-cyclohexyl-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one?
2-cyclohexyl-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one has a molecular weight of 506.43 g/mol, XLogP of 7.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one is sourced from PubChem (CID 126290795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).