3-fluoro-N-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide

C26H24FN3O2 — CID 42717578

IUPAC3-fluoro-N-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(C)cc1)N(C)C(=O)c1cccc(F)c1
InChIInChI=1S/C26H24FN3O2/c1-4-23(29(3)25(31)18-8-7-9-19(27)16-18)24-28-22-11-6-5-10-21(22)26(32)30(24)20-14-12-17(2)13-15-20/h5-16,23H,4H2,1-3H3
InChIKeyMRIPWIFEFQYIDF-UHFFFAOYSA-N
MW429.50 g/mol
LogP5.06
Rot. Bonds5

About 3-fluoro-N-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide

3-fluoro-N-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide (PubChem CID 42717578) has the molecular formula C26H24FN3O2 and a molecular weight of 429.50 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
PubChem CID42717578
Molecular FormulaC26H24FN3O2
Molecular Weight429.50 g/mol
Exact Mass429.19
IUPAC Name3-fluoro-N-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(C)cc1)N(C)C(=O)c1cccc(F)c1
InChIInChI=1S/C26H24FN3O2/c1-4-23(29(3)25(31)18-8-7-9-19(27)16-18)24-28-22-11-6-5-10-21(22)26(32)30(24)20-14-12-17(2)13-15-20/h5-16,23H,4H2,1-3H3
InChIKeyMRIPWIFEFQYIDF-UHFFFAOYSA-N
XLogP5.06
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide
CID 42716248
4-fluoro-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methylbenzamide
CID 42719202
3-bromo-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methylbenzamide
CID 42719322
N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzamide
CID 42717218
N-ethyl-3-fluoro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide
CID 42715400
4-tert-butyl-N-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 3941943
N-ethyl-2-fluoro-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42717191
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 42718827
N-(2-methoxyethyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42717584
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 3920095
N-ethyl-N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-3-nitrobenzamide
CID 42718794
N,3-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide
CID 42719114

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?
The IUPAC name of 3-fluoro-N-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide (CID 42717578) is 3-fluoro-N-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide.
What is the SMILES notation for 3-fluoro-N-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?
The canonical SMILES for 3-fluoro-N-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide is CCC(c1nc2ccccc2c(=O)n1-c1ccc(C)cc1)N(C)C(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?
The InChIKey is MRIPWIFEFQYIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O2/c1-4-23(29(3)25(31)18-8-7-9-19(27)16-18)24-28-22-11-6-5-10-21(22)26(32)30(24)20-14-12-17(2)13-15-20/h5-16,23H,4H2,1-3H3.
What are the key properties of 3-fluoro-N-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?
3-fluoro-N-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide has a molecular weight of 429.50 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide is sourced from PubChem (CID 42717578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).