8-isoquinolin-4-yl-6-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

C20H16N4OS — CID 164546178

IUPAC8-isoquinolin-4-yl-6-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESCc1csc(-c2cc(-c3cncc4ccccc34)c3c(n2)NCCO3)n1
InChIInChI=1S/C20H16N4OS/c1-12-11-26-20(23-12)17-8-15(18-19(24-17)22-6-7-25-18)16-10-21-9-13-4-2-3-5-14(13)16/h2-5,8-11H,6-7H2,1H3,(H,22,24)
InChIKeyODQCDQQCZKMIED-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.53
Rot. Bonds2

About 8-isoquinolin-4-yl-6-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

8-isoquinolin-4-yl-6-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (PubChem CID 164546178) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is 8-isoquinolin-4-yl-6-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name8-isoquinolin-4-yl-6-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
PubChem CID164546178
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC Name8-isoquinolin-4-yl-6-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESCc1csc(-c2cc(-c3cncc4ccccc34)c3c(n2)NCCO3)n1
InChIInChI=1S/C20H16N4OS/c1-12-11-26-20(23-12)17-8-15(18-19(24-17)22-6-7-25-18)16-10-21-9-13-4-2-3-5-14(13)16/h2-5,8-11H,6-7H2,1H3,(H,22,24)
InChIKeyODQCDQQCZKMIED-UHFFFAOYSA-N
XLogP4.53
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-isoquinolin-4-yl-6-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The IUPAC name of 8-isoquinolin-4-yl-6-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (CID 164546178) is 8-isoquinolin-4-yl-6-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 8-isoquinolin-4-yl-6-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 8-isoquinolin-4-yl-6-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is Cc1csc(-c2cc(-c3cncc4ccccc34)c3c(n2)NCCO3)n1.
What is the InChIKey of 8-isoquinolin-4-yl-6-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The InChIKey is ODQCDQQCZKMIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c1-12-11-26-20(23-12)17-8-15(18-19(24-17)22-6-7-25-18)16-10-21-9-13-4-2-3-5-14(13)16/h2-5,8-11H,6-7H2,1H3,(H,22,24).
What are the key properties of 8-isoquinolin-4-yl-6-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
8-isoquinolin-4-yl-6-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine has a molecular weight of 360.44 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-isoquinolin-4-yl-6-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 164546178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).