6-bromo-3-[[2-bromo-3-chloro-5-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-propylquinazolin-4-one

C25H25Br2ClN4O5 — CID 126342626

IUPAC6-bromo-3-[[2-bromo-3-chloro-5-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-propylquinazolin-4-one
SMILESCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)N2CCOCC2)c(Cl)c1Br
InChIInChI=1S/C25H25Br2ClN4O5/c1-3-4-20-30-18-6-5-16(26)12-17(18)25(34)32(20)29-13-15-11-19(35-2)24(23(28)22(15)27)37-14-21(33)31-7-9-36-10-8-31/h5-6,11-13H,3-4,7-10,14H2,1-2H3
InChIKeySXOKBEMZSUXUHL-UHFFFAOYSA-N
MW656.76 g/mol
LogP4.66
Rot. Bonds8

About 6-bromo-3-[[2-bromo-3-chloro-5-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-propylquinazolin-4-one

6-bromo-3-[[2-bromo-3-chloro-5-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-propylquinazolin-4-one (PubChem CID 126342626) has the molecular formula C25H25Br2ClN4O5 and a molecular weight of 656.76 g/mol. Its IUPAC name is 6-bromo-3-[[2-bromo-3-chloro-5-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-propylquinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[[2-bromo-3-chloro-5-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-propylquinazolin-4-one
PubChem CID126342626
Molecular FormulaC25H25Br2ClN4O5
Molecular Weight656.76 g/mol
Exact Mass653.99
IUPAC Name6-bromo-3-[[2-bromo-3-chloro-5-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-propylquinazolin-4-one
SMILESCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)N2CCOCC2)c(Cl)c1Br
InChIInChI=1S/C25H25Br2ClN4O5/c1-3-4-20-30-18-6-5-16(26)12-17(18)25(34)32(20)29-13-15-11-19(35-2)24(23(28)22(15)27)37-14-21(33)31-7-9-36-10-8-31/h5-6,11-13H,3-4,7-10,14H2,1-2H3
InChIKeySXOKBEMZSUXUHL-UHFFFAOYSA-N
XLogP4.66
TPSA95.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500656.76
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-bromo-3-[[2-bromo-3-chloro-5-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-propylquinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[3-bromo-4-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]-2-chloro-6-methoxyphenoxy]acetate
CID 126309522
6-bromo-2-butyl-3-[[3,5-diiodo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]quinazolin-4-one
CID 126318544
methyl 2-[2,3-dibromo-4-[(6-bromo-4-oxo-2-propylquinazolin-3-yl)iminomethyl]-6-methoxyphenoxy]acetate
CID 126338391
2-[2,3-dibromo-4-[(6-bromo-4-oxo-2-propylquinazolin-3-yl)iminomethyl]-6-methoxyphenoxy]acetamide
CID 126326969
methyl (2S)-2-[3-bromo-4-[(6-bromo-4-oxo-2-propylquinazolin-3-yl)iminomethyl]-2-chloro-6-methoxyphenoxy]propanoate
CID 126329407
6-bromo-3-[[3-bromo-5-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126292844
6-bromo-3-[(2-bromo-3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-ethylquinazolin-4-one
CID 126306251
2-[3-bromo-4-[(6-bromo-2-butyl-4-oxoquinazolin-3-yl)iminomethyl]-2-chloro-6-methoxyphenoxy]-N-(4-chlorophenyl)acetamide
CID 126317366
3-[[2-bromo-3-chloro-5-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126407388
6-bromo-3-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-ethylquinazolin-4-one
CID 126297741
6-bromo-3-[(2-bromo-3-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-ethylquinazolin-4-one
CID 126289399
6-bromo-3-[(2-bromo-3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2-butylquinazolin-4-one
CID 126324813

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[[2-bromo-3-chloro-5-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-propylquinazolin-4-one?
The IUPAC name of 6-bromo-3-[[2-bromo-3-chloro-5-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-propylquinazolin-4-one (CID 126342626) is 6-bromo-3-[[2-bromo-3-chloro-5-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-propylquinazolin-4-one.
What is the SMILES notation for 6-bromo-3-[[2-bromo-3-chloro-5-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-propylquinazolin-4-one?
The canonical SMILES for 6-bromo-3-[[2-bromo-3-chloro-5-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-propylquinazolin-4-one is CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)N2CCOCC2)c(Cl)c1Br.
What is the InChIKey of 6-bromo-3-[[2-bromo-3-chloro-5-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-propylquinazolin-4-one?
The InChIKey is SXOKBEMZSUXUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Br2ClN4O5/c1-3-4-20-30-18-6-5-16(26)12-17(18)25(34)32(20)29-13-15-11-19(35-2)24(23(28)22(15)27)37-14-21(33)31-7-9-36-10-8-31/h5-6,11-13H,3-4,7-10,14H2,1-2H3.
What are the key properties of 6-bromo-3-[[2-bromo-3-chloro-5-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-propylquinazolin-4-one?
6-bromo-3-[[2-bromo-3-chloro-5-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-propylquinazolin-4-one has a molecular weight of 656.76 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[[2-bromo-3-chloro-5-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-propylquinazolin-4-one is sourced from PubChem (CID 126342626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).