4-[[4-[(5-chlorothiophen-2-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine

C18H18ClN3OS2 — CID 30091306

IUPAC4-[[4-[(5-chlorothiophen-2-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine
SMILESClc1ccc(CSc2nc(CN3CCOCC3)nc3ccccc23)s1
InChIInChI=1S/C18H18ClN3OS2/c19-16-6-5-13(25-16)12-24-18-14-3-1-2-4-15(14)20-17(21-18)11-22-7-9-23-10-8-22/h1-6H,7-12H2
InChIKeyWFNPQSUZJSCKNC-UHFFFAOYSA-N
MW391.95 g/mol
LogP4.47
Rot. Bonds5

About 4-[[4-[(5-chlorothiophen-2-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine

4-[[4-[(5-chlorothiophen-2-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine (PubChem CID 30091306) has the molecular formula C18H18ClN3OS2 and a molecular weight of 391.95 g/mol. Its IUPAC name is 4-[[4-[(5-chlorothiophen-2-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[(5-chlorothiophen-2-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine
PubChem CID30091306
Molecular FormulaC18H18ClN3OS2
Molecular Weight391.95 g/mol
Exact Mass391.06
IUPAC Name4-[[4-[(5-chlorothiophen-2-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine
SMILESClc1ccc(CSc2nc(CN3CCOCC3)nc3ccccc23)s1
InChIInChI=1S/C18H18ClN3OS2/c19-16-6-5-13(25-16)12-24-18-14-3-1-2-4-15(14)20-17(21-18)11-22-7-9-23-10-8-22/h1-6H,7-12H2
InChIKeyWFNPQSUZJSCKNC-UHFFFAOYSA-N
XLogP4.47
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.95
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[4-[(5-chlorothiophen-2-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine with MolForge

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 17440826
4-[[4-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine
CID 16581399
4-[[4-(2-phenylethylsulfanyl)quinazolin-2-yl]methyl]morpholine
CID 52545224
4-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine
CID 16581391
3-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylmethyl]benzonitrile
CID 30091308
1-(2,5-dimethylthiophen-3-yl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylethanone
CID 17489315
4-[[4-[(1-butyltetrazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine
CID 55491139
4-[[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine
CID 16581426
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
3-(N-[2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetyl]anilino)propanamide
CID 24585303
1-(4-chlorophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropan-1-one
CID 16581408

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(5-chlorothiophen-2-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine?
The IUPAC name of 4-[[4-[(5-chlorothiophen-2-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine (CID 30091306) is 4-[[4-[(5-chlorothiophen-2-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[(5-chlorothiophen-2-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-[(5-chlorothiophen-2-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine is Clc1ccc(CSc2nc(CN3CCOCC3)nc3ccccc23)s1.
What is the InChIKey of 4-[[4-[(5-chlorothiophen-2-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine?
The InChIKey is WFNPQSUZJSCKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3OS2/c19-16-6-5-13(25-16)12-24-18-14-3-1-2-4-15(14)20-17(21-18)11-22-7-9-23-10-8-22/h1-6H,7-12H2.
What are the key properties of 4-[[4-[(5-chlorothiophen-2-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine?
4-[[4-[(5-chlorothiophen-2-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine has a molecular weight of 391.95 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(5-chlorothiophen-2-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine is sourced from PubChem (CID 30091306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).