4-[[4-(2-phenylethylsulfanyl)quinazolin-2-yl]methyl]morpholine

C21H23N3OS — CID 52545224

IUPAC4-[[4-(2-phenylethylsulfanyl)quinazolin-2-yl]methyl]morpholine
SMILESc1ccc(CCSc2nc(CN3CCOCC3)nc3ccccc23)cc1
InChIInChI=1S/C21H23N3OS/c1-2-6-17(7-3-1)10-15-26-21-18-8-4-5-9-19(18)22-20(23-21)16-24-11-13-25-14-12-24/h1-9H,10-16H2
InChIKeyLMVJVOWWDFDOCN-UHFFFAOYSA-N
MW365.50 g/mol
LogP3.80
Rot. Bonds6

About 4-[[4-(2-phenylethylsulfanyl)quinazolin-2-yl]methyl]morpholine

4-[[4-(2-phenylethylsulfanyl)quinazolin-2-yl]methyl]morpholine (PubChem CID 52545224) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is 4-[[4-(2-phenylethylsulfanyl)quinazolin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-(2-phenylethylsulfanyl)quinazolin-2-yl]methyl]morpholine
PubChem CID52545224
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name4-[[4-(2-phenylethylsulfanyl)quinazolin-2-yl]methyl]morpholine
SMILESc1ccc(CCSc2nc(CN3CCOCC3)nc3ccccc23)cc1
InChIInChI=1S/C21H23N3OS/c1-2-6-17(7-3-1)10-15-26-21-18-8-4-5-9-19(18)22-20(23-21)16-24-11-13-25-14-12-24/h1-9H,10-16H2
InChIKeyLMVJVOWWDFDOCN-UHFFFAOYSA-N
XLogP3.80
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine
CID 16581399
3-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylmethyl]benzonitrile
CID 30091308
4-[[4-[(5-chlorothiophen-2-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine
CID 30091306
N-[(2S)-butan-2-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 30253432
4-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine
CID 16581391
2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 51928613
4-[[4-[(1-butyltetrazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine
CID 55491139
3-(N-[2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetyl]anilino)propanamide
CID 24585303
1-(2,5-dimethylthiophen-3-yl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylethanone
CID 17489315
N-[(2-fluorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 46678950
N-(2-cyanoethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-phenylacetamide
CID 16579470
N-(2,3-dimethylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 46672702

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-phenylethylsulfanyl)quinazolin-2-yl]methyl]morpholine?
The IUPAC name of 4-[[4-(2-phenylethylsulfanyl)quinazolin-2-yl]methyl]morpholine (CID 52545224) is 4-[[4-(2-phenylethylsulfanyl)quinazolin-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-(2-phenylethylsulfanyl)quinazolin-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-(2-phenylethylsulfanyl)quinazolin-2-yl]methyl]morpholine is c1ccc(CCSc2nc(CN3CCOCC3)nc3ccccc23)cc1.
What is the InChIKey of 4-[[4-(2-phenylethylsulfanyl)quinazolin-2-yl]methyl]morpholine?
The InChIKey is LMVJVOWWDFDOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-2-6-17(7-3-1)10-15-26-21-18-8-4-5-9-19(18)22-20(23-21)16-24-11-13-25-14-12-24/h1-9H,10-16H2.
What are the key properties of 4-[[4-(2-phenylethylsulfanyl)quinazolin-2-yl]methyl]morpholine?
4-[[4-(2-phenylethylsulfanyl)quinazolin-2-yl]methyl]morpholine has a molecular weight of 365.50 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-phenylethylsulfanyl)quinazolin-2-yl]methyl]morpholine is sourced from PubChem (CID 52545224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).