N-butan-2-yl-2-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpentanamide

C23H26FN3O2S — CID 42736386

IUPACN-butan-2-yl-2-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpentanamide
SMILESCCCC(Sc1nc2ccccc2c(=O)n1-c1cccc(F)c1)C(=O)NC(C)CC
InChIInChI=1S/C23H26FN3O2S/c1-4-9-20(21(28)25-15(3)5-2)30-23-26-19-13-7-6-12-18(19)22(29)27(23)17-11-8-10-16(24)14-17/h6-8,10-15,20H,4-5,9H2,1-3H3,(H,25,28)
InChIKeyBYUIGPIXJBNMDU-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.70
Rot. Bonds8

About N-butan-2-yl-2-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpentanamide

N-butan-2-yl-2-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpentanamide (PubChem CID 42736386) has the molecular formula C23H26FN3O2S and a molecular weight of 427.55 g/mol. Its IUPAC name is N-butan-2-yl-2-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpentanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpentanamide
PubChem CID42736386
Molecular FormulaC23H26FN3O2S
Molecular Weight427.55 g/mol
Exact Mass427.17
IUPAC NameN-butan-2-yl-2-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpentanamide
SMILESCCCC(Sc1nc2ccccc2c(=O)n1-c1cccc(F)c1)C(=O)NC(C)CC
InChIInChI=1S/C23H26FN3O2S/c1-4-9-20(21(28)25-15(3)5-2)30-23-26-19-13-7-6-12-18(19)22(29)27(23)17-11-8-10-16(24)14-17/h6-8,10-15,20H,4-5,9H2,1-3H3,(H,25,28)
InChIKeyBYUIGPIXJBNMDU-UHFFFAOYSA-N
XLogP4.70
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-butan-2-yl-2-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylacetamide
CID 42736247
N-(2-fluorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide
CID 23858589
2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-pentan-2-ylacetamide
CID 3376172
ethyl (2R)-2-[3-(3-nitrophenyl)-4-oxoquinazolin-2-yl]sulfanylpentanoate
CID 93126162
ethyl (2S)-2-[3-(3-nitrophenyl)-4-oxoquinazolin-2-yl]sulfanylpentanoate
CID 93126161
2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanyl-N-pentylbutanamide
CID 42735235
2-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-hexylacetamide
CID 42736265
N-butan-2-yl-4-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylbutanamide
CID 42734635
N-butan-2-yl-2-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3511222
N-[2-(dimethylamino)ethyl]-2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylbutanamide
CID 42735233
2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2R)-pentan-2-yl]acetamide
CID 2693503
N-(3,4-dichlorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide
CID 23801475

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpentanamide?
The IUPAC name of N-butan-2-yl-2-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpentanamide (CID 42736386) is N-butan-2-yl-2-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpentanamide.
What is the SMILES notation for N-butan-2-yl-2-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpentanamide?
The canonical SMILES for N-butan-2-yl-2-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpentanamide is CCCC(Sc1nc2ccccc2c(=O)n1-c1cccc(F)c1)C(=O)NC(C)CC.
What is the InChIKey of N-butan-2-yl-2-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpentanamide?
The InChIKey is BYUIGPIXJBNMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2S/c1-4-9-20(21(28)25-15(3)5-2)30-23-26-19-13-7-6-12-18(19)22(29)27(23)17-11-8-10-16(24)14-17/h6-8,10-15,20H,4-5,9H2,1-3H3,(H,25,28).
What are the key properties of N-butan-2-yl-2-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpentanamide?
N-butan-2-yl-2-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpentanamide has a molecular weight of 427.55 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpentanamide is sourced from PubChem (CID 42736386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).