7-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-6-methoxy-3H-quinazolin-4-one

C15H19N3O5S — CID 135496860

IUPAC7-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-6-methoxy-3H-quinazolin-4-one
SMILESCOc1cc2c(=O)[nH]cnc2cc1OCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C15H19N3O5S/c1-22-13-8-11-12(16-10-17-15(11)19)9-14(13)23-5-2-18-3-6-24(20,21)7-4-18/h8-10H,2-7H2,1H3,(H,16,17,19)
InChIKeyWQBDRMRHUAHBPC-UHFFFAOYSA-N
MW353.40 g/mol
LogP0.04
Rot. Bonds5

About 7-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-6-methoxy-3H-quinazolin-4-one

7-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-6-methoxy-3H-quinazolin-4-one (PubChem CID 135496860) has the molecular formula C15H19N3O5S and a molecular weight of 353.40 g/mol. Its IUPAC name is 7-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-6-methoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-6-methoxy-3H-quinazolin-4-one
PubChem CID135496860
Molecular FormulaC15H19N3O5S
Molecular Weight353.40 g/mol
Exact Mass353.10
IUPAC Name7-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-6-methoxy-3H-quinazolin-4-one
SMILESCOc1cc2c(=O)[nH]cnc2cc1OCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C15H19N3O5S/c1-22-13-8-11-12(16-10-17-15(11)19)9-14(13)23-5-2-18-3-6-24(20,21)7-4-18/h8-10H,2-7H2,1H3,(H,16,17,19)
InChIKeyWQBDRMRHUAHBPC-UHFFFAOYSA-N
XLogP0.04
TPSA101.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-6-methoxy-3H-quinazolin-4-one with MolForge

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Related Compounds

7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one;hydrochloride
CID 174738355
6-methoxy-7-(2-pyrrol-1-ylethoxy)-3H-quinazolin-4-one
CID 135442261
7-(2-chloroethoxy)-6-methoxy-3H-quinazolin-4-one
CID 135589778
7-(2-imidazol-1-ylethoxy)-6-methoxy-3H-quinazolin-4-one
CID 135490844
6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]-3H-quinazolin-4-one
CID 135742285
6-methoxy-7-(2-methylsulfanylethoxy)-3H-quinazolin-4-one;hydrochloride
CID 135549386
6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one;ethane
CID 143274794
6,7-dimethoxy-3H-quinazolin-4-one;formamide
CID 158241473
7-methoxy-6-methyl-3H-quinazolin-4-one
CID 135980182
6-amino-7-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one
CID 154256825
1-[2-(6-methoxy-4-piperazin-1-ylquinazolin-7-yl)oxyethyl]piperidin-4-one
CID 10992646
6-acetyl-7-methoxy-3H-quinazolin-4-one
CID 137176609

Frequently Asked Questions

What is the IUPAC name of 7-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-6-methoxy-3H-quinazolin-4-one?
The IUPAC name of 7-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-6-methoxy-3H-quinazolin-4-one (CID 135496860) is 7-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-6-methoxy-3H-quinazolin-4-one.
What is the SMILES notation for 7-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-6-methoxy-3H-quinazolin-4-one?
The canonical SMILES for 7-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-6-methoxy-3H-quinazolin-4-one is COc1cc2c(=O)[nH]cnc2cc1OCCN1CCS(=O)(=O)CC1.
What is the InChIKey of 7-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-6-methoxy-3H-quinazolin-4-one?
The InChIKey is WQBDRMRHUAHBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5S/c1-22-13-8-11-12(16-10-17-15(11)19)9-14(13)23-5-2-18-3-6-24(20,21)7-4-18/h8-10H,2-7H2,1H3,(H,16,17,19).
What are the key properties of 7-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-6-methoxy-3H-quinazolin-4-one?
7-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-6-methoxy-3H-quinazolin-4-one has a molecular weight of 353.40 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-6-methoxy-3H-quinazolin-4-one is sourced from PubChem (CID 135496860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).