2-[1-[(6-bromo-4-oxo-2-propylquinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxy-N-(3-fluorophenyl)acetamide

C30H24BrFN4O3 — CID 126318082

IUPAC2-[1-[(6-bromo-4-oxo-2-propylquinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxy-N-(3-fluorophenyl)acetamide
SMILESCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OCC(=O)Nc2cccc(F)c2)ccc2ccccc12
InChIInChI=1S/C30H24BrFN4O3/c1-2-6-28-35-26-13-12-20(31)15-24(26)30(38)36(28)33-17-25-23-10-4-3-7-19(23)11-14-27(25)39-18-29(37)34-22-9-5-8-21(32)16-22/h3-5,7-17H,2,6,18H2,1H3,(H,34,37)
InChIKeyIMOYZBGYBVQGOM-UHFFFAOYSA-N
MW587.45 g/mol
LogP6.30
Rot. Bonds8

About 2-[1-[(6-bromo-4-oxo-2-propylquinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxy-N-(3-fluorophenyl)acetamide

2-[1-[(6-bromo-4-oxo-2-propylquinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxy-N-(3-fluorophenyl)acetamide (PubChem CID 126318082) has the molecular formula C30H24BrFN4O3 and a molecular weight of 587.45 g/mol. Its IUPAC name is 2-[1-[(6-bromo-4-oxo-2-propylquinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxy-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[1-[(6-bromo-4-oxo-2-propylquinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxy-N-(3-fluorophenyl)acetamide
PubChem CID126318082
Molecular FormulaC30H24BrFN4O3
Molecular Weight587.45 g/mol
Exact Mass586.10
IUPAC Name2-[1-[(6-bromo-4-oxo-2-propylquinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxy-N-(3-fluorophenyl)acetamide
SMILESCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OCC(=O)Nc2cccc(F)c2)ccc2ccccc12
InChIInChI=1S/C30H24BrFN4O3/c1-2-6-28-35-26-13-12-20(31)15-24(26)30(38)36(28)33-17-25-23-10-4-3-7-19(23)11-14-27(25)39-18-29(37)34-22-9-5-8-21(32)16-22/h3-5,7-17H,2,6,18H2,1H3,(H,34,37)
InChIKeyIMOYZBGYBVQGOM-UHFFFAOYSA-N
XLogP6.30
TPSA85.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.45
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(6-bromo-4-oxo-2-propylquinazolin-3-yl)iminomethyl]-2-ethoxyphenoxy]-N-(3-fluorophenyl)acetamide
CID 126343237
2-[2-bromo-4-[(6-bromo-2-butyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]-N-(3-fluorophenyl)acetamide
CID 126316753
2-[1-[(6-bromo-2-butyl-4-oxoquinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxy-N-(2-methylphenyl)acetamide
CID 126327039
2-[1-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxy-N-(4-fluorophenyl)acetamide
CID 126290453
2-[2-bromo-4-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]-N-(3-fluorophenyl)acetamide
CID 126280788
2-[1-[(6-bromo-4-oxo-2-propan-2-ylquinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxy-N-(4-fluorophenyl)acetamide
CID 126288518
2-[4-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]-2-methoxyphenoxy]-N-(3-fluorophenyl)acetamide
CID 126284249
2-[2-[(6-bromo-4-oxo-2-propylquinazolin-3-yl)iminomethyl]-4-chloro-6-nitrophenoxy]-N-(3-fluorophenyl)acetamide
CID 126321274
6-bromo-3-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-propylquinazolin-4-one
CID 126331068
2-[4-bromo-2-[(6-bromo-2-butyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 126310090
2-[2-[(6-bromo-4-oxo-2-propylquinazolin-3-yl)iminomethyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 126336611
2-[2-bromo-4-[(6-bromo-4-oxo-2-propylquinazolin-3-yl)iminomethyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 126327502

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-bromo-4-oxo-2-propylquinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxy-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[1-[(6-bromo-4-oxo-2-propylquinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxy-N-(3-fluorophenyl)acetamide (CID 126318082) is 2-[1-[(6-bromo-4-oxo-2-propylquinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxy-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[1-[(6-bromo-4-oxo-2-propylquinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxy-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[1-[(6-bromo-4-oxo-2-propylquinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxy-N-(3-fluorophenyl)acetamide is CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OCC(=O)Nc2cccc(F)c2)ccc2ccccc12.
What is the InChIKey of 2-[1-[(6-bromo-4-oxo-2-propylquinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxy-N-(3-fluorophenyl)acetamide?
The InChIKey is IMOYZBGYBVQGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24BrFN4O3/c1-2-6-28-35-26-13-12-20(31)15-24(26)30(38)36(28)33-17-25-23-10-4-3-7-19(23)11-14-27(25)39-18-29(37)34-22-9-5-8-21(32)16-22/h3-5,7-17H,2,6,18H2,1H3,(H,34,37).
What are the key properties of 2-[1-[(6-bromo-4-oxo-2-propylquinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxy-N-(3-fluorophenyl)acetamide?
2-[1-[(6-bromo-4-oxo-2-propylquinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxy-N-(3-fluorophenyl)acetamide has a molecular weight of 587.45 g/mol, XLogP of 6.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-bromo-4-oxo-2-propylquinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxy-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 126318082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).