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

C22H23FN4O2S — CID 46678950

IUPACN-[(2-fluorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
SMILESO=C(CSc1nc(CN2CCOCC2)nc2ccccc12)NCc1ccccc1F
InChIInChI=1S/C22H23FN4O2S/c23-18-7-3-1-5-16(18)13-24-21(28)15-30-22-17-6-2-4-8-19(17)25-20(26-22)14-27-9-11-29-12-10-27/h1-8H,9-15H2,(H,24,28)
InChIKeyWADWDZOESXYXQN-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.01
Rot. Bonds7

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

N-[(2-fluorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide (PubChem CID 46678950) has the molecular formula C22H23FN4O2S and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
PubChem CID46678950
Molecular FormulaC22H23FN4O2S
Molecular Weight426.52 g/mol
Exact Mass426.15
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
SMILESO=C(CSc1nc(CN2CCOCC2)nc2ccccc12)NCc1ccccc1F
InChIInChI=1S/C22H23FN4O2S/c23-18-7-3-1-5-16(18)13-24-21(28)15-30-22-17-6-2-4-8-19(17)25-20(26-22)14-27-9-11-29-12-10-27/h1-8H,9-15H2,(H,24,28)
InChIKeyWADWDZOESXYXQN-UHFFFAOYSA-N
XLogP3.01
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-difluorophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 16581338
N-[(2S)-butan-2-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 30253432
2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 51928613
N-(2,3-dimethylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 46672702
N-[2-(3-methylphenoxy)ethyl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 25451435
4-[[4-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine
CID 16581399
N-[(4-fluorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide
CID 46687739
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 46678837
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 25451111
4-[[4-(2-phenylethylsulfanyl)quinazolin-2-yl]methyl]morpholine
CID 52545224
N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 46679323
2-(3,4-difluorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 8926696

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide (CID 46678950) is N-[(2-fluorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide is O=C(CSc1nc(CN2CCOCC2)nc2ccccc12)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide?
The InChIKey is WADWDZOESXYXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2S/c23-18-7-3-1-5-16(18)13-24-21(28)15-30-22-17-6-2-4-8-19(17)25-20(26-22)14-27-9-11-29-12-10-27/h1-8H,9-15H2,(H,24,28).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide?
N-[(2-fluorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide has a molecular weight of 426.52 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide is sourced from PubChem (CID 46678950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).