3-[[2-[(2,4-dichlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]-1H-quinazoline-2,4-dione

C24H20Cl2N4O3 — CID 4558111

IUPAC3-[[2-[(2,4-dichlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]-1H-quinazoline-2,4-dione
SMILESCN(C)c1ccc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(OCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C24H20Cl2N4O3/c1-29(2)18-10-8-15(22(12-18)33-14-16-7-9-17(25)11-20(16)26)13-27-30-23(31)19-5-3-4-6-21(19)28-24(30)32/h3-13H,14H2,1-2H3,(H,28,32)
InChIKeyYMELMFCUYAYSRJ-UHFFFAOYSA-N
MW483.36 g/mol
LogP4.52
Rot. Bonds6

About 3-[[2-[(2,4-dichlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]-1H-quinazoline-2,4-dione

3-[[2-[(2,4-dichlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]-1H-quinazoline-2,4-dione (PubChem CID 4558111) has the molecular formula C24H20Cl2N4O3 and a molecular weight of 483.36 g/mol. Its IUPAC name is 3-[[2-[(2,4-dichlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[[2-[(2,4-dichlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]-1H-quinazoline-2,4-dione
PubChem CID4558111
Molecular FormulaC24H20Cl2N4O3
Molecular Weight483.36 g/mol
Exact Mass482.09
IUPAC Name3-[[2-[(2,4-dichlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]-1H-quinazoline-2,4-dione
SMILESCN(C)c1ccc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(OCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C24H20Cl2N4O3/c1-29(2)18-10-8-15(22(12-18)33-14-16-7-9-17(25)11-20(16)26)13-27-30-23(31)19-5-3-4-6-21(19)28-24(30)32/h3-13H,14H2,1-2H3,(H,28,32)
InChIKeyYMELMFCUYAYSRJ-UHFFFAOYSA-N
XLogP4.52
TPSA79.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.36
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[[2-[(2,4-dichlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

ethyl 2-[5-(dimethylamino)-2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]phenoxy]acetate
CID 3556532
3-[[2-[(2,4-dichlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]-2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)quinazolin-4-one
CID 126291782
3-[[5-chloro-2-(2,2-dimethylpropoxy)phenyl]methylideneamino]-1H-quinazoline-2,4-dione
CID 3886355
2-[5-(dimethylamino)-2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]phenoxy]-N-(3-fluorophenyl)acetamide
CID 126358770
3-[[2-(1,3-benzodioxol-5-ylmethoxy)-5-chlorophenyl]methylideneamino]-1H-quinazoline-2,4-dione
CID 3873184
3-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-1H-quinazoline-2,4-dione
CID 126367803
3-[[4-[(2-chlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylideneamino]-1H-quinazoline-2,4-dione
CID 4240089
3-[(2,4-dimethoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 4302099
6-bromo-3-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126288391
3-[[5-chloro-2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1H-quinazoline-2,4-dione
CID 3707913
2-(1-benzofuran-2-yl)-3-[[2-[(2-chlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one
CID 126309650
3-[[4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-1H-quinazoline-2,4-dione
CID 126351723

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2,4-dichlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[[2-[(2,4-dichlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]-1H-quinazoline-2,4-dione (CID 4558111) is 3-[[2-[(2,4-dichlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[[2-[(2,4-dichlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[[2-[(2,4-dichlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]-1H-quinazoline-2,4-dione is CN(C)c1ccc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(OCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 3-[[2-[(2,4-dichlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]-1H-quinazoline-2,4-dione?
The InChIKey is YMELMFCUYAYSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4O3/c1-29(2)18-10-8-15(22(12-18)33-14-16-7-9-17(25)11-20(16)26)13-27-30-23(31)19-5-3-4-6-21(19)28-24(30)32/h3-13H,14H2,1-2H3,(H,28,32).
What are the key properties of 3-[[2-[(2,4-dichlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]-1H-quinazoline-2,4-dione?
3-[[2-[(2,4-dichlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]-1H-quinazoline-2,4-dione has a molecular weight of 483.36 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(2,4-dichlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 4558111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).