6-bromo-3-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one

C24H19BrClN3O3 — CID 126307638

IUPAC6-bromo-3-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one
SMILESCOc1cccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C24H19BrClN3O3/c1-15-28-21-11-8-18(25)12-20(21)24(30)29(15)27-13-17-4-3-5-22(31-2)23(17)32-14-16-6-9-19(26)10-7-16/h3-13H,14H2,1-2H3
InChIKeyCMTMVPPPAXOMIY-UHFFFAOYSA-N
MW512.79 g/mol
LogP5.59
Rot. Bonds6

About 6-bromo-3-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one

6-bromo-3-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one (PubChem CID 126307638) has the molecular formula C24H19BrClN3O3 and a molecular weight of 512.79 g/mol. Its IUPAC name is 6-bromo-3-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one
PubChem CID126307638
Molecular FormulaC24H19BrClN3O3
Molecular Weight512.79 g/mol
Exact Mass511.03
IUPAC Name6-bromo-3-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one
SMILESCOc1cccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C24H19BrClN3O3/c1-15-28-21-11-8-18(25)12-20(21)24(30)29(15)27-13-17-4-3-5-22(31-2)23(17)32-14-16-6-9-19(26)10-7-16/h3-13H,14H2,1-2H3
InChIKeyCMTMVPPPAXOMIY-UHFFFAOYSA-N
XLogP5.59
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.79
LogP ≤ 55.59
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-[(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126289391
6-bromo-2-tert-butyl-3-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]quinazolin-4-one
CID 126298943
6-bromo-3-[[2-[(4-bromophenyl)methoxy]-5-chloro-3-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126302106
6-bromo-2-butyl-3-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]quinazolin-4-one
CID 126316239
6-bromo-3-[[5-chloro-2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126286107
2-[2-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-6-methoxyphenoxy]acetonitrile
CID 126294402
2-(5-bromo-1-benzofuran-2-yl)-3-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]quinazolin-4-one
CID 126282708
6-bromo-3-[[4-[(4-bromophenyl)methoxy]-3,5-dimethoxyphenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126311347
6-bromo-3-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126282870
6-bromo-3-[[2-[(4-chlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126292128
[2-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-6-methoxyphenyl] acetate
CID 126299728
6-bromo-3-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-propylquinazolin-4-one
CID 126333622

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one?
The IUPAC name of 6-bromo-3-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one (CID 126307638) is 6-bromo-3-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one.
What is the SMILES notation for 6-bromo-3-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one?
The canonical SMILES for 6-bromo-3-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one is COc1cccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1OCc1ccc(Cl)cc1.
What is the InChIKey of 6-bromo-3-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one?
The InChIKey is CMTMVPPPAXOMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrClN3O3/c1-15-28-21-11-8-18(25)12-20(21)24(30)29(15)27-13-17-4-3-5-22(31-2)23(17)32-14-16-6-9-19(26)10-7-16/h3-13H,14H2,1-2H3.
What are the key properties of 6-bromo-3-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one?
6-bromo-3-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one has a molecular weight of 512.79 g/mol, XLogP of 5.59, 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-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one is sourced from PubChem (CID 126307638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).