3-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzo[g]quinazolin-4-one

C20H21N3O3S — CID 8674821

IUPAC3-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzo[g]quinazolin-4-one
SMILESCCn1c(SCC(=O)N2CCOCC2)nc2cc3ccccc3cc2c1=O
InChIInChI=1S/C20H21N3O3S/c1-2-23-19(25)16-11-14-5-3-4-6-15(14)12-17(16)21-20(23)27-13-18(24)22-7-9-26-10-8-22/h3-6,11-12H,2,7-10,13H2,1H3
InChIKeyRSPQXQMKVJHPEJ-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.52
Rot. Bonds4

About 3-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzo[g]quinazolin-4-one

3-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzo[g]quinazolin-4-one (PubChem CID 8674821) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 3-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzo[g]quinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzo[g]quinazolin-4-one
PubChem CID8674821
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name3-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzo[g]quinazolin-4-one
SMILESCCn1c(SCC(=O)N2CCOCC2)nc2cc3ccccc3cc2c1=O
InChIInChI=1S/C20H21N3O3S/c1-2-23-19(25)16-11-14-5-3-4-6-15(14)12-17(16)21-20(23)27-13-18(24)22-7-9-26-10-8-22/h3-6,11-12H,2,7-10,13H2,1H3
InChIKeyRSPQXQMKVJHPEJ-UHFFFAOYSA-N
XLogP2.52
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-2-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]sulfanylbenzo[g]quinazolin-4-one
CID 177056343
N-carbamoyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide
CID 8674882
3-(3-methylbutyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one
CID 16517277
N'-acetyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetohydrazide
CID 8674995
2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 8674945
3-[(4-methylphenyl)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one
CID 3872635
methyl 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-oxo-3-(2-phenylethyl)quinazoline-7-carboxylate
CID 55312351
3-ethyl-2-(3-hydroxypropylsulfanyl)benzo[g]quinazolin-4-one
CID 110878644
2-benzylsulfanyl-3-ethylbenzo[g]quinazolin-4-one
CID 8674808
2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 8674943
2-[[2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetyl]amino]-N-methylacetamide
CID 8633148
2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 8674979

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzo[g]quinazolin-4-one?
The IUPAC name of 3-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzo[g]quinazolin-4-one (CID 8674821) is 3-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzo[g]quinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzo[g]quinazolin-4-one?
The canonical SMILES for 3-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzo[g]quinazolin-4-one is CCn1c(SCC(=O)N2CCOCC2)nc2cc3ccccc3cc2c1=O.
What is the InChIKey of 3-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzo[g]quinazolin-4-one?
The InChIKey is RSPQXQMKVJHPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-2-23-19(25)16-11-14-5-3-4-6-15(14)12-17(16)21-20(23)27-13-18(24)22-7-9-26-10-8-22/h3-6,11-12H,2,7-10,13H2,1H3.
What are the key properties of 3-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzo[g]quinazolin-4-one?
3-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzo[g]quinazolin-4-one has a molecular weight of 383.47 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzo[g]quinazolin-4-one is sourced from PubChem (CID 8674821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).