4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinolin-7-amine

C14H17N3O2S — CID 103001963

IUPAC4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinolin-7-amine
SMILESCC1CS(=O)(=O)CCN1c1ccnc2cc(N)ccc12
InChIInChI=1S/C14H17N3O2S/c1-10-9-20(18,19)7-6-17(10)14-4-5-16-13-8-11(15)2-3-12(13)14/h2-5,8,10H,6-7,9,15H2,1H3
InChIKeyWWJNGFVRVYASET-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.44
Rot. Bonds1

About 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinolin-7-amine

4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinolin-7-amine (PubChem CID 103001963) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinolin-7-amine.

Molecular Properties

Compound Name4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinolin-7-amine
PubChem CID103001963
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinolin-7-amine
SMILESCC1CS(=O)(=O)CCN1c1ccnc2cc(N)ccc12
InChIInChI=1S/C14H17N3O2S/c1-10-9-20(18,19)7-6-17(10)14-4-5-16-13-8-11(15)2-3-12(13)14/h2-5,8,10H,6-7,9,15H2,1H3
InChIKeyWWJNGFVRVYASET-UHFFFAOYSA-N
XLogP1.44
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-cyclopentylpyrrolidin-1-yl)quinolin-7-amine
CID 103000935
1-(7-aminoquinolin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 103000781
4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid
CID 102883871
4-(4-propan-2-ylpiperidin-1-yl)quinolin-7-amine
CID 103505187
2,4-difluoro-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline
CID 102882483
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5-(trifluoromethyl)aniline
CID 102882511
4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinazolin-2-amine
CID 102887639
2-(7-aminoquinolin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 103001618
[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
CID 102882640
2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline
CID 102882565
2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline
CID 102882558
4-(3-propylpyrrolidin-1-yl)quinolin-7-amine
CID 103001744

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinolin-7-amine?
The IUPAC name of 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinolin-7-amine (CID 103001963) is 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinolin-7-amine.
What is the SMILES notation for 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinolin-7-amine?
The canonical SMILES for 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinolin-7-amine is CC1CS(=O)(=O)CCN1c1ccnc2cc(N)ccc12.
What is the InChIKey of 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinolin-7-amine?
The InChIKey is WWJNGFVRVYASET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-9-20(18,19)7-6-17(10)14-4-5-16-13-8-11(15)2-3-12(13)14/h2-5,8,10H,6-7,9,15H2,1H3.
What are the key properties of 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinolin-7-amine?
4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinolin-7-amine has a molecular weight of 291.38 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinolin-7-amine is sourced from PubChem (CID 103001963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).