3-(2-methoxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one

C17H21N3O4S — CID 3149114

IUPAC3-(2-methoxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one
SMILESCOCCn1c(SCC(=O)N2CCOCC2)nc2ccccc2c1=O
InChIInChI=1S/C17H21N3O4S/c1-23-9-8-20-16(22)13-4-2-3-5-14(13)18-17(20)25-12-15(21)19-6-10-24-11-7-19/h2-5H,6-12H2,1H3
InChIKeyGIDXOFKLPMRIOG-UHFFFAOYSA-N
MW363.44 g/mol
LogP0.99
Rot. Bonds6

About 3-(2-methoxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one

3-(2-methoxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one (PubChem CID 3149114) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one
PubChem CID3149114
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name3-(2-methoxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one
SMILESCOCCn1c(SCC(=O)N2CCOCC2)nc2ccccc2c1=O
InChIInChI=1S/C17H21N3O4S/c1-23-9-8-20-16(22)13-4-2-3-5-14(13)18-17(20)25-12-15(21)19-6-10-24-11-7-19/h2-5H,6-12H2,1H3
InChIKeyGIDXOFKLPMRIOG-UHFFFAOYSA-N
XLogP0.99
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-Propoxy-3-propyl-4(3H)-quinazolinone
CID 11770728
2-((2-piperidin-1-ylethyl)thio)quinazolin-4(3H)-one
CID 135520446
Bis-quinazolinone 5
CID 145996538
Ethyl 2-[3-(cyclohexylmethyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate
CID 2959700
N-cyclohexyl-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide
CID 135408823
3-Cyclohexyl-2-methylsulfanylquinazolin-4-one
CID 866369
2-(3-Isopropoxy-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-N,N-dimethyl-acetamide
CID 947562
3-(2,2-Dimethyloxan-4-yl)-2-methylsulfanylquinazolin-4-one
CID 3143123
3-Methyl-2-[(2-methylbenzyl)sulfanyl]-4(3H)-quinazolinone
CID 17020007
3-Methyl-2-[(3-methylbenzyl)sulfanyl]-4(3H)-quinazolinone
CID 17020009
4(3H)-Quinazolinone, 2-(ethylthio)-3-phenyl-
CID 63761
Ethyl 2-[3-(cyclopentylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetate
CID 791485

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one (CID 3149114) is 3-(2-methoxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one is COCCn1c(SCC(=O)N2CCOCC2)nc2ccccc2c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one?
The InChIKey is GIDXOFKLPMRIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-23-9-8-20-16(22)13-4-2-3-5-14(13)18-17(20)25-12-15(21)19-6-10-24-11-7-19/h2-5H,6-12H2,1H3.
What are the key properties of 3-(2-methoxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one?
3-(2-methoxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one has a molecular weight of 363.44 g/mol, XLogP of 0.99, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one is sourced from PubChem (CID 3149114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).