(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-quinolin-4-ylmethanone

C16H18N2O3S — CID 71971495

IUPAC(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-quinolin-4-ylmethanone
SMILESCC1(C)CN(C(=O)c2ccnc3ccccc23)CCS1(=O)=O
InChIInChI=1S/C16H18N2O3S/c1-16(2)11-18(9-10-22(16,20)21)15(19)13-7-8-17-14-6-4-3-5-12(13)14/h3-8H,9-11H2,1-2H3
InChIKeyYQKPDJKWKVKNGZ-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.88
Rot. Bonds1

About (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-quinolin-4-ylmethanone

(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-quinolin-4-ylmethanone (PubChem CID 71971495) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-quinolin-4-ylmethanone.

Molecular Properties

Compound Name(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-quinolin-4-ylmethanone
PubChem CID71971495
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-quinolin-4-ylmethanone
SMILESCC1(C)CN(C(=O)c2ccnc3ccccc23)CCS1(=O)=O
InChIInChI=1S/C16H18N2O3S/c1-16(2)11-18(9-10-22(16,20)21)15(19)13-7-8-17-14-6-4-3-5-12(13)14/h3-8H,9-11H2,1-2H3
InChIKeyYQKPDJKWKVKNGZ-UHFFFAOYSA-N
XLogP1.88
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-quinolin-4-ylmethanone?
The IUPAC name of (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-quinolin-4-ylmethanone (CID 71971495) is (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-quinolin-4-ylmethanone.
What is the SMILES notation for (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-quinolin-4-ylmethanone?
The canonical SMILES for (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-quinolin-4-ylmethanone is CC1(C)CN(C(=O)c2ccnc3ccccc23)CCS1(=O)=O.
What is the InChIKey of (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-quinolin-4-ylmethanone?
The InChIKey is YQKPDJKWKVKNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-16(2)11-18(9-10-22(16,20)21)15(19)13-7-8-17-14-6-4-3-5-12(13)14/h3-8H,9-11H2,1-2H3.
What are the key properties of (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-quinolin-4-ylmethanone?
(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-quinolin-4-ylmethanone has a molecular weight of 318.40 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-quinolin-4-ylmethanone is sourced from PubChem (CID 71971495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).