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

C18H23N3O4S — CID 3181429

IUPAC3-(3-methoxypropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one
SMILESCOCCCn1c(SCC(=O)N2CCOCC2)nc2ccccc2c1=O
InChIInChI=1S/C18H23N3O4S/c1-24-10-4-7-21-17(23)14-5-2-3-6-15(14)19-18(21)26-13-16(22)20-8-11-25-12-9-20/h2-3,5-6H,4,7-13H2,1H3
InChIKeyXFITUCNEQOWDQV-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.38
Rot. Bonds7

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

3-(3-methoxypropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one (PubChem CID 3181429) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-(3-methoxypropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one
PubChem CID3181429
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name3-(3-methoxypropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one
SMILESCOCCCn1c(SCC(=O)N2CCOCC2)nc2ccccc2c1=O
InChIInChI=1S/C18H23N3O4S/c1-24-10-4-7-21-17(23)14-5-2-3-6-15(14)19-18(21)26-13-16(22)20-8-11-25-12-9-20/h2-3,5-6H,4,7-13H2,1H3
InChIKeyXFITUCNEQOWDQV-UHFFFAOYSA-N
XLogP1.38
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(3-methoxypropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one with MolForge

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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
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
Ethyl 2-[3-(cyclopentylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetate
CID 791485
2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-N-phenylacetamide
CID 855776
Ethyl 2-[3-(2-methylpropyl)-4-oxo-3-hydroquinazolin-2-ylthio]acetate
CID 856662

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one?
The IUPAC name of 3-(3-methoxypropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one (CID 3181429) is 3-(3-methoxypropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one.
What is the SMILES notation for 3-(3-methoxypropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one?
The canonical SMILES for 3-(3-methoxypropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one is COCCCn1c(SCC(=O)N2CCOCC2)nc2ccccc2c1=O.
What is the InChIKey of 3-(3-methoxypropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one?
The InChIKey is XFITUCNEQOWDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-24-10-4-7-21-17(23)14-5-2-3-6-15(14)19-18(21)26-13-16(22)20-8-11-25-12-9-20/h2-3,5-6H,4,7-13H2,1H3.
What are the key properties of 3-(3-methoxypropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one?
3-(3-methoxypropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one has a molecular weight of 377.47 g/mol, XLogP of 1.38, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one is sourced from PubChem (CID 3181429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).