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

C27H26FN3O2 — CID 42717191

IUPACN-ethyl-2-fluoro-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(C)cc1)N(CC)C(=O)c1ccccc1F
InChIInChI=1S/C27H26FN3O2/c1-4-24(30(5-2)26(32)20-10-6-8-12-22(20)28)25-29-23-13-9-7-11-21(23)27(33)31(25)19-16-14-18(3)15-17-19/h6-17,24H,4-5H2,1-3H3
InChIKeyXLULEXTWAZDGLA-UHFFFAOYSA-N
MW443.52 g/mol
LogP5.45
Rot. Bonds6

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

N-ethyl-2-fluoro-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide (PubChem CID 42717191) has the molecular formula C27H26FN3O2 and a molecular weight of 443.52 g/mol. Its IUPAC name is N-ethyl-2-fluoro-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
PubChem CID42717191
Molecular FormulaC27H26FN3O2
Molecular Weight443.52 g/mol
Exact Mass443.20
IUPAC NameN-ethyl-2-fluoro-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(C)cc1)N(CC)C(=O)c1ccccc1F
InChIInChI=1S/C27H26FN3O2/c1-4-24(30(5-2)26(32)20-10-6-8-12-22(20)28)25-29-23-13-9-7-11-21(23)27(33)31(25)19-16-14-18(3)15-17-19/h6-17,24H,4-5H2,1-3H3
InChIKeyXLULEXTWAZDGLA-UHFFFAOYSA-N
XLogP5.45
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.52
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-(2-methoxyethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42719145
2-chloro-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 4029276
2-fluoro-N-(furan-2-ylmethyl)-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42719281
2-fluoro-N-(3-methoxypropyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42727689
N-(3-methoxypropyl)-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42727633
N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzamide
CID 42717218
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyl-2-methylbenzamide
CID 42718906
2,4-dichloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42722668
N-ethyl-2-fluoro-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42718224
N-butyl-2-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide
CID 42716311
N-benzyl-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]propanamide
CID 42717250
N-benzyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-fluorobenzamide
CID 42721898

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?
The IUPAC name of N-ethyl-2-fluoro-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide (CID 42717191) is N-ethyl-2-fluoro-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide.
What is the SMILES notation for N-ethyl-2-fluoro-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?
The canonical SMILES for N-ethyl-2-fluoro-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide is CCC(c1nc2ccccc2c(=O)n1-c1ccc(C)cc1)N(CC)C(=O)c1ccccc1F.
What is the InChIKey of N-ethyl-2-fluoro-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?
The InChIKey is XLULEXTWAZDGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O2/c1-4-24(30(5-2)26(32)20-10-6-8-12-22(20)28)25-29-23-13-9-7-11-21(23)27(33)31(25)19-16-14-18(3)15-17-19/h6-17,24H,4-5H2,1-3H3.
What are the key properties of N-ethyl-2-fluoro-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?
N-ethyl-2-fluoro-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide has a molecular weight of 443.52 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide is sourced from PubChem (CID 42717191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).