6-bromo-3-[[2,3-dibromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one

C24H16Br3Cl2N3O3 — CID 126288948

IUPAC6-bromo-3-[[2,3-dibromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one
SMILESCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)c(Br)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H16Br3Cl2N3O3/c1-12-31-19-6-4-15(25)8-17(19)24(33)32(12)30-10-14-7-20(34-2)23(22(27)21(14)26)35-11-13-3-5-16(28)9-18(13)29/h3-10H,11H2,1-2H3
InChIKeyNXHPPLSFOSEPRP-UHFFFAOYSA-N
MW705.03 g/mol
LogP7.77
Rot. Bonds6

About 6-bromo-3-[[2,3-dibromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one

6-bromo-3-[[2,3-dibromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one (PubChem CID 126288948) has the molecular formula C24H16Br3Cl2N3O3 and a molecular weight of 705.03 g/mol. Its IUPAC name is 6-bromo-3-[[2,3-dibromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[[2,3-dibromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one
PubChem CID126288948
Molecular FormulaC24H16Br3Cl2N3O3
Molecular Weight705.03 g/mol
Exact Mass700.81
IUPAC Name6-bromo-3-[[2,3-dibromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one
SMILESCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)c(Br)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H16Br3Cl2N3O3/c1-12-31-19-6-4-15(25)8-17(19)24(33)32(12)30-10-14-7-20(34-2)23(22(27)21(14)26)35-11-13-3-5-16(28)9-18(13)29/h3-10H,11H2,1-2H3
InChIKeyNXHPPLSFOSEPRP-UHFFFAOYSA-N
XLogP7.77
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.03
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-3-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126308669
6-bromo-3-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126288391
2-(5-bromo-1-benzofuran-2-yl)-3-[[2,3-dibromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]quinazolin-4-one
CID 126289266
methyl 2-[2,3-dibromo-4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-6-methoxyphenoxy]acetate
CID 126303740
6-bromo-3-[[5-chloro-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126302577
6-bromo-2-[(2R)-butan-2-yl]-3-[[2,3-dibromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]quinazolin-4-one
CID 126323831
6-bromo-2-[(2S)-butan-2-yl]-3-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]quinazolin-4-one
CID 126332344
6-bromo-3-[(2,3-dibromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126313966
2-[[3-bromo-4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-2-chloro-6-methoxyphenoxy]methyl]benzonitrile
CID 126305228
6-bromo-3-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-tert-butylquinazolin-4-one
CID 126282589
6-bromo-3-[[2-[(4-bromophenyl)methoxy]-5-chloro-3-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126302106
6-bromo-3-[[2,3-dibromo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126292358

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[[2,3-dibromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one?
The IUPAC name of 6-bromo-3-[[2,3-dibromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one (CID 126288948) is 6-bromo-3-[[2,3-dibromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one.
What is the SMILES notation for 6-bromo-3-[[2,3-dibromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one?
The canonical SMILES for 6-bromo-3-[[2,3-dibromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one is COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)c(Br)c1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 6-bromo-3-[[2,3-dibromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one?
The InChIKey is NXHPPLSFOSEPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Br3Cl2N3O3/c1-12-31-19-6-4-15(25)8-17(19)24(33)32(12)30-10-14-7-20(34-2)23(22(27)21(14)26)35-11-13-3-5-16(28)9-18(13)29/h3-10H,11H2,1-2H3.
What are the key properties of 6-bromo-3-[[2,3-dibromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one?
6-bromo-3-[[2,3-dibromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one has a molecular weight of 705.03 g/mol, XLogP of 7.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[[2,3-dibromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one is sourced from PubChem (CID 126288948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).