3-bromo-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide

C25H22BrN3O2 — CID 42716248

IUPAC3-bromo-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccccc1)N(C)C(=O)c1cccc(Br)c1
InChIInChI=1S/C25H22BrN3O2/c1-3-22(28(2)24(30)17-10-9-11-18(26)16-17)23-27-21-15-8-7-14-20(21)25(31)29(23)19-12-5-4-6-13-19/h4-16,22H,3H2,1-2H3
InChIKeyFVBNPFGNYGSUAP-UHFFFAOYSA-N
MW476.37 g/mol
LogP5.37
Rot. Bonds5

About 3-bromo-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide

3-bromo-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide (PubChem CID 42716248) has the molecular formula C25H22BrN3O2 and a molecular weight of 476.37 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide
PubChem CID42716248
Molecular FormulaC25H22BrN3O2
Molecular Weight476.37 g/mol
Exact Mass475.09
IUPAC Name3-bromo-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccccc1)N(C)C(=O)c1cccc(Br)c1
InChIInChI=1S/C25H22BrN3O2/c1-3-22(28(2)24(30)17-10-9-11-18(26)16-17)23-27-21-15-8-7-14-20(21)25(31)29(23)19-12-5-4-6-13-19/h4-16,22H,3H2,1-2H3
InChIKeyFVBNPFGNYGSUAP-UHFFFAOYSA-N
XLogP5.37
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.37
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methylbenzamide
CID 42719322
3-bromo-N-butyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide
CID 42716312
3-fluoro-N-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42717578
4-tert-butyl-N-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 3941943
4-fluoro-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methylbenzamide
CID 42719202
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]-3-methoxy-N-methylbenzamide
CID 42716340
N,3-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide
CID 42719114
1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-(2-methylphenyl)urea
CID 42719804
3-bromo-N-[2-(dimethylamino)ethyl]-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42721379
1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-(4-ethylphenyl)-1-methylurea
CID 42719803
N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzamide
CID 42717218
3-bromo-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide
CID 5108410

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide?
The IUPAC name of 3-bromo-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide (CID 42716248) is 3-bromo-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide.
What is the SMILES notation for 3-bromo-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide?
The canonical SMILES for 3-bromo-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide is CCC(c1nc2ccccc2c(=O)n1-c1ccccc1)N(C)C(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide?
The InChIKey is FVBNPFGNYGSUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22BrN3O2/c1-3-22(28(2)24(30)17-10-9-11-18(26)16-17)23-27-21-15-8-7-14-20(21)25(31)29(23)19-12-5-4-6-13-19/h4-16,22H,3H2,1-2H3.
What are the key properties of 3-bromo-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide?
3-bromo-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide has a molecular weight of 476.37 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide is sourced from PubChem (CID 42716248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).