N-butyl-2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanylacetamide

C21H22FN3OS — CID 3226763

IUPACN-butyl-2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanylacetamide
SMILESCCCCNC(=O)CSc1nc(-c2ccc(F)cc2)nc2cc(C)ccc12
InChIInChI=1S/C21H22FN3OS/c1-3-4-11-23-19(26)13-27-21-17-10-5-14(2)12-18(17)24-20(25-21)15-6-8-16(22)9-7-15/h5-10,12H,3-4,11,13H2,1-2H3,(H,23,26)
InChIKeyQULUWRVVPKEVPG-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.75
Rot. Bonds7

About N-butyl-2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanylacetamide

N-butyl-2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanylacetamide (PubChem CID 3226763) has the molecular formula C21H22FN3OS and a molecular weight of 383.49 g/mol. Its IUPAC name is N-butyl-2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-butyl-2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanylacetamide
PubChem CID3226763
Molecular FormulaC21H22FN3OS
Molecular Weight383.49 g/mol
Exact Mass383.15
IUPAC NameN-butyl-2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanylacetamide
SMILESCCCCNC(=O)CSc1nc(-c2ccc(F)cc2)nc2cc(C)ccc12
InChIInChI=1S/C21H22FN3OS/c1-3-4-11-23-19(26)13-27-21-17-10-5-14(2)12-18(17)24-20(25-21)15-6-8-16(22)9-7-15/h5-10,12H,3-4,11,13H2,1-2H3,(H,23,26)
InChIKeyQULUWRVVPKEVPG-UHFFFAOYSA-N
XLogP4.75
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanylacetamide
CID 43816561
2-[2-(4-fluorophenyl)-6-methylquinazolin-4-yl]sulfanyl-N-propylacetamide
CID 3226769
2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanyl-N-phenylacetamide
CID 1459615
N-benzyl-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide
CID 3184944
N-butyl-2-[3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide
CID 50804374
N-butyl-2-[2-(4-fluorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetamide
CID 95922975
2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanyl-N-(3-methoxypropyl)acetamide
CID 41193420
2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 1129852
N-[(3-methoxyphenyl)methyl]-2-[2-(4-methylphenyl)quinazolin-4-yl]sulfanylacetamide
CID 43816558
N-cyclopropyl-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide
CID 1459866
N'-[2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetyl]-3-methylbenzohydrazide
CID 1167934
N-(4-chlorophenyl)-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide
CID 3166672

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanylacetamide?
The IUPAC name of N-butyl-2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanylacetamide (CID 3226763) is N-butyl-2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanylacetamide.
What is the SMILES notation for N-butyl-2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanylacetamide?
The canonical SMILES for N-butyl-2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanylacetamide is CCCCNC(=O)CSc1nc(-c2ccc(F)cc2)nc2cc(C)ccc12.
What is the InChIKey of N-butyl-2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanylacetamide?
The InChIKey is QULUWRVVPKEVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3OS/c1-3-4-11-23-19(26)13-27-21-17-10-5-14(2)12-18(17)24-20(25-21)15-6-8-16(22)9-7-15/h5-10,12H,3-4,11,13H2,1-2H3,(H,23,26).
What are the key properties of N-butyl-2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanylacetamide?
N-butyl-2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanylacetamide has a molecular weight of 383.49 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanylacetamide is sourced from PubChem (CID 3226763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).