4-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine

C23H21ClN4OS2 — CID 16581391

IUPAC4-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine
SMILESClc1ccc(-c2nc(CSc3nc(CN4CCOCC4)nc4ccccc34)cs2)cc1
InChIInChI=1S/C23H21ClN4OS2/c24-17-7-5-16(6-8-17)22-25-18(14-30-22)15-31-23-19-3-1-2-4-20(19)26-21(27-23)13-28-9-11-29-12-10-28/h1-8,14H,9-13,15H2
InChIKeyPBFQLMKAOVKLRJ-UHFFFAOYSA-N
MW469.04 g/mol
LogP5.53
Rot. Bonds6

About 4-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine

4-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine (PubChem CID 16581391) has the molecular formula C23H21ClN4OS2 and a molecular weight of 469.04 g/mol. Its IUPAC name is 4-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine
PubChem CID16581391
Molecular FormulaC23H21ClN4OS2
Molecular Weight469.04 g/mol
Exact Mass468.08
IUPAC Name4-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine
SMILESClc1ccc(-c2nc(CSc3nc(CN4CCOCC4)nc4ccccc34)cs2)cc1
InChIInChI=1S/C23H21ClN4OS2/c24-17-7-5-16(6-8-17)22-25-18(14-30-22)15-31-23-19-3-1-2-4-20(19)26-21(27-23)13-28-9-11-29-12-10-28/h1-8,14H,9-13,15H2
InChIKeyPBFQLMKAOVKLRJ-UHFFFAOYSA-N
XLogP5.53
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.04
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine with MolForge

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Related Compounds

4-[[4-[(5-chlorothiophen-2-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine
CID 30091306
4-[[4-(2-phenylethylsulfanyl)quinazolin-2-yl]methyl]morpholine
CID 52545224
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-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine
CID 16581426
1-(4-chlorophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropan-1-one
CID 16581408
3-[(4-chlorophenyl)methyl]-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one
CID 2092632
4-[[4-[(1-butyltetrazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine
CID 55491139
2-(4-methoxyphenyl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole
CID 7146150
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-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 17440826

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine?
The IUPAC name of 4-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine (CID 16581391) is 4-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine is Clc1ccc(-c2nc(CSc3nc(CN4CCOCC4)nc4ccccc34)cs2)cc1.
What is the InChIKey of 4-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine?
The InChIKey is PBFQLMKAOVKLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4OS2/c24-17-7-5-16(6-8-17)22-25-18(14-30-22)15-31-23-19-3-1-2-4-20(19)26-21(27-23)13-28-9-11-29-12-10-28/h1-8,14H,9-13,15H2.
What are the key properties of 4-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine?
4-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine has a molecular weight of 469.04 g/mol, XLogP of 5.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine is sourced from PubChem (CID 16581391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).