N-(4-fluorophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylbutanamide

C23H25FN4O2S — CID 24585309

IUPACN-(4-fluorophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylbutanamide
SMILESCCC(Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C23H25FN4O2S/c1-2-20(22(29)25-17-9-7-16(24)8-10-17)31-23-18-5-3-4-6-19(18)26-21(27-23)15-28-11-13-30-14-12-28/h3-10,20H,2,11-15H2,1H3,(H,25,29)
InChIKeyJTMZQBZOTMOSMB-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.11
Rot. Bonds7

About N-(4-fluorophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylbutanamide

N-(4-fluorophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylbutanamide (PubChem CID 24585309) has the molecular formula C23H25FN4O2S and a molecular weight of 440.54 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylbutanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylbutanamide
PubChem CID24585309
Molecular FormulaC23H25FN4O2S
Molecular Weight440.54 g/mol
Exact Mass440.17
IUPAC NameN-(4-fluorophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylbutanamide
SMILESCCC(Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C23H25FN4O2S/c1-2-20(22(29)25-17-9-7-16(24)8-10-17)31-23-18-5-3-4-6-19(18)26-21(27-23)15-28-11-13-30-14-12-28/h3-10,20H,2,11-15H2,1H3,(H,25,29)
InChIKeyJTMZQBZOTMOSMB-UHFFFAOYSA-N
XLogP4.11
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-fluorophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylbutanamide 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

(2S)-N-(4-methylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide
CID 30239510
N-[(4-fluorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide
CID 46687739
N-(4-methylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-2-phenylacetamide
CID 46678835
N-(3-fluoro-4-methylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide
CID 24585269
2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-pyrimidin-2-ylpropanamide
CID 55497939
N-[2-(difluoromethoxy)phenyl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide
CID 24585275
N-[(2S)-butan-2-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 30253432
1-(4-chlorophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropan-1-one
CID 16581408
1-(1H-indol-3-yl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropan-1-one
CID 42929503
N-(2,4-difluorophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 16581338
N-(cyclohexylmethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide
CID 46679027
N-[(2-fluorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 46678950

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylbutanamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylbutanamide (CID 24585309) is N-(4-fluorophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylbutanamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylbutanamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylbutanamide is CCC(Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylbutanamide?
The InChIKey is JTMZQBZOTMOSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2S/c1-2-20(22(29)25-17-9-7-16(24)8-10-17)31-23-18-5-3-4-6-19(18)26-21(27-23)15-28-11-13-30-14-12-28/h3-10,20H,2,11-15H2,1H3,(H,25,29).
What are the key properties of N-(4-fluorophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylbutanamide?
N-(4-fluorophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylbutanamide has a molecular weight of 440.54 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylbutanamide is sourced from PubChem (CID 24585309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).