2-[(4-benzylmorpholin-2-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one

C28H29N3O2S — CID 4833615

IUPAC2-[(4-benzylmorpholin-2-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one
SMILESCCc1ccc(-n2c(SCC3CN(Cc4ccccc4)CCO3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C28H29N3O2S/c1-2-21-12-14-23(15-13-21)31-27(32)25-10-6-7-11-26(25)29-28(31)34-20-24-19-30(16-17-33-24)18-22-8-4-3-5-9-22/h3-15,24H,2,16-20H2,1H3
InChIKeyGLCHCAKVWJHXTD-UHFFFAOYSA-N
MW471.63 g/mol
LogP4.94
Rot. Bonds7

About 2-[(4-benzylmorpholin-2-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one

2-[(4-benzylmorpholin-2-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one (PubChem CID 4833615) has the molecular formula C28H29N3O2S and a molecular weight of 471.63 g/mol. Its IUPAC name is 2-[(4-benzylmorpholin-2-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(4-benzylmorpholin-2-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one
PubChem CID4833615
Molecular FormulaC28H29N3O2S
Molecular Weight471.63 g/mol
Exact Mass471.20
IUPAC Name2-[(4-benzylmorpholin-2-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one
SMILESCCc1ccc(-n2c(SCC3CN(Cc4ccccc4)CCO3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C28H29N3O2S/c1-2-21-12-14-23(15-13-21)31-27(32)25-10-6-7-11-26(25)29-28(31)34-20-24-19-30(16-17-33-24)18-22-8-4-3-5-9-22/h3-15,24H,2,16-20H2,1H3
InChIKeyGLCHCAKVWJHXTD-UHFFFAOYSA-N
XLogP4.94
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.63
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(4-benzylmorpholin-2-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one with MolForge

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Related Compounds

2-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one
CID 2566897
3-(4-ethylphenyl)-2-(1,2-oxazol-5-ylmethylsulfanyl)quinazolin-4-one
CID 154799020
3-(4-ethoxyphenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one
CID 7821490
2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-3-(4-ethylphenyl)quinazolin-4-one
CID 16534195
3-(4-chlorophenyl)-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]quinazolin-4-one
CID 9322861
3-(4-ethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
CID 2605126
1-[(4-benzylmorpholin-2-yl)methylsulfanyl]-4-butyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17486728
2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide
CID 2605057
3-(3,5-dimethylphenyl)-2-(oxan-2-ylmethylsulfanyl)quinazolin-4-one
CID 4812088
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one
CID 35358675
N-[(4-benzylmorpholin-2-yl)methyl]-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 42982505
2-[(2-benzylmorpholin-4-yl)methyl]-3-methylquinazolin-4-one
CID 122135267

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzylmorpholin-2-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one?
The IUPAC name of 2-[(4-benzylmorpholin-2-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one (CID 4833615) is 2-[(4-benzylmorpholin-2-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one.
What is the SMILES notation for 2-[(4-benzylmorpholin-2-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one?
The canonical SMILES for 2-[(4-benzylmorpholin-2-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one is CCc1ccc(-n2c(SCC3CN(Cc4ccccc4)CCO3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 2-[(4-benzylmorpholin-2-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one?
The InChIKey is GLCHCAKVWJHXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O2S/c1-2-21-12-14-23(15-13-21)31-27(32)25-10-6-7-11-26(25)29-28(31)34-20-24-19-30(16-17-33-24)18-22-8-4-3-5-9-22/h3-15,24H,2,16-20H2,1H3.
What are the key properties of 2-[(4-benzylmorpholin-2-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one?
2-[(4-benzylmorpholin-2-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one has a molecular weight of 471.63 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzylmorpholin-2-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one is sourced from PubChem (CID 4833615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).