2-(5-bromoquinolin-8-yl)-6-methyl-1,3-thiazinane

C14H15BrN2S — CID 112618396

IUPAC2-(5-bromoquinolin-8-yl)-6-methyl-1,3-thiazinane
SMILESCC1CCNC(c2ccc(Br)c3cccnc23)S1
InChIInChI=1S/C14H15BrN2S/c1-9-6-8-17-14(18-9)11-4-5-12(15)10-3-2-7-16-13(10)11/h2-5,7,9,14,17H,6,8H2,1H3
InChIKeyNWGMPADIFBYIFM-UHFFFAOYSA-N
MW323.26 g/mol
LogP4.11
Rot. Bonds1

About 2-(5-bromoquinolin-8-yl)-6-methyl-1,3-thiazinane

2-(5-bromoquinolin-8-yl)-6-methyl-1,3-thiazinane (PubChem CID 112618396) has the molecular formula C14H15BrN2S and a molecular weight of 323.26 g/mol. Its IUPAC name is 2-(5-bromoquinolin-8-yl)-6-methyl-1,3-thiazinane.

Molecular Properties

Compound Name2-(5-bromoquinolin-8-yl)-6-methyl-1,3-thiazinane
PubChem CID112618396
Molecular FormulaC14H15BrN2S
Molecular Weight323.26 g/mol
Exact Mass322.01
IUPAC Name2-(5-bromoquinolin-8-yl)-6-methyl-1,3-thiazinane
SMILESCC1CCNC(c2ccc(Br)c3cccnc23)S1
InChIInChI=1S/C14H15BrN2S/c1-9-6-8-17-14(18-9)11-4-5-12(15)10-3-2-7-16-13(10)11/h2-5,7,9,14,17H,6,8H2,1H3
InChIKeyNWGMPADIFBYIFM-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-8-(2-methylpyrrolidin-3-yl)quinoline
CID 112618368
2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazinane
CID 112618394
5-bromo-8-(5-methylpyrrolidin-3-yl)quinoline
CID 112618555
2-(5-bromoquinolin-8-yl)cyclopropan-1-amine
CID 112618257
4-(5-bromoquinolin-8-yl)-5-ethylpyrrolidin-2-one
CID 112618670
2-(5-bromoquinolin-8-yl)-1-cyclopropylpyrrolidin-3-amine
CID 115960457
5-(5-bromoquinolin-8-yl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine
CID 115960680
5-bromoquinolin-8-ol;nickel
CID 175092761
5-bromo-7-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinolin-8-ol
CID 131987057
(5-bromoquinolin-8-yl)-cyclopentylmethanol
CID 112618124
7-bromo-8-piperidin-4-yloxyquinoline
CID 68754211
6-methyl-2-(2-methyltriazol-4-yl)-1,3-thiazinane
CID 130645888

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromoquinolin-8-yl)-6-methyl-1,3-thiazinane?
The IUPAC name of 2-(5-bromoquinolin-8-yl)-6-methyl-1,3-thiazinane (CID 112618396) is 2-(5-bromoquinolin-8-yl)-6-methyl-1,3-thiazinane.
What is the SMILES notation for 2-(5-bromoquinolin-8-yl)-6-methyl-1,3-thiazinane?
The canonical SMILES for 2-(5-bromoquinolin-8-yl)-6-methyl-1,3-thiazinane is CC1CCNC(c2ccc(Br)c3cccnc23)S1.
What is the InChIKey of 2-(5-bromoquinolin-8-yl)-6-methyl-1,3-thiazinane?
The InChIKey is NWGMPADIFBYIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2S/c1-9-6-8-17-14(18-9)11-4-5-12(15)10-3-2-7-16-13(10)11/h2-5,7,9,14,17H,6,8H2,1H3.
What are the key properties of 2-(5-bromoquinolin-8-yl)-6-methyl-1,3-thiazinane?
2-(5-bromoquinolin-8-yl)-6-methyl-1,3-thiazinane has a molecular weight of 323.26 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromoquinolin-8-yl)-6-methyl-1,3-thiazinane is sourced from PubChem (CID 112618396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).