N-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluorobenzamide

C30H32FN3O2 — CID 5223620

IUPACN-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluorobenzamide
SMILESCCCCN(C(=O)c1ccc(F)cc1)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(CC)cc1
InChIInChI=1S/C30H32FN3O2/c1-4-7-20-33(29(35)22-14-16-23(31)17-15-22)27(6-3)28-32-26-11-9-8-10-25(26)30(36)34(28)24-18-12-21(5-2)13-19-24/h8-19,27H,4-7,20H2,1-3H3
InChIKeySVKDYHRXZXLXCJ-UHFFFAOYSA-N
MW485.60 g/mol
LogP6.48
Rot. Bonds9

About N-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluorobenzamide

N-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluorobenzamide (PubChem CID 5223620) has the molecular formula C30H32FN3O2 and a molecular weight of 485.60 g/mol. Its IUPAC name is N-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluorobenzamide
PubChem CID5223620
Molecular FormulaC30H32FN3O2
Molecular Weight485.60 g/mol
Exact Mass485.25
IUPAC NameN-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluorobenzamide
SMILESCCCCN(C(=O)c1ccc(F)cc1)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(CC)cc1
InChIInChI=1S/C30H32FN3O2/c1-4-7-20-33(29(35)22-14-16-23(31)17-15-22)27(6-3)28-32-26-11-9-8-10-25(26)30(36)34(28)24-18-12-21(5-2)13-19-24/h8-19,27H,4-7,20H2,1-3H3
InChIKeySVKDYHRXZXLXCJ-UHFFFAOYSA-N
XLogP6.48
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.60
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylbenzamide
CID 42718880
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 42718827
N-butyl-4-fluoro-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 3397481
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyl-2-methylbenzamide
CID 42718906
2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexylbenzamide
CID 4029648
N-butyl-2-chloro-N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylacetamide
CID 3580721
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyldecanamide
CID 42722894
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentyltetradecanamide
CID 42718891
4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylbenzamide
CID 42723520
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 4004381
4-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide
CID 3431671
3-bromo-N-butyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide
CID 42716312

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluorobenzamide?
The IUPAC name of N-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluorobenzamide (CID 5223620) is N-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluorobenzamide.
What is the SMILES notation for N-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluorobenzamide?
The canonical SMILES for N-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluorobenzamide is CCCCN(C(=O)c1ccc(F)cc1)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(CC)cc1.
What is the InChIKey of N-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluorobenzamide?
The InChIKey is SVKDYHRXZXLXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN3O2/c1-4-7-20-33(29(35)22-14-16-23(31)17-15-22)27(6-3)28-32-26-11-9-8-10-25(26)30(36)34(28)24-18-12-21(5-2)13-19-24/h8-19,27H,4-7,20H2,1-3H3.
What are the key properties of N-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluorobenzamide?
N-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluorobenzamide has a molecular weight of 485.60 g/mol, XLogP of 6.48, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluorobenzamide is sourced from PubChem (CID 5223620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).