9-methyl-7-(1,3-thiazol-4-yl)-1H-pyrido[3,2-g][1,4]benzoxazin-2-one

C15H11N3O2S — CID 169416854

IUPAC9-methyl-7-(1,3-thiazol-4-yl)-1H-pyrido[3,2-g][1,4]benzoxazin-2-one
SMILESCc1cc(-c2cscn2)nc2cc3c(cc12)NC(=O)CO3
InChIInChI=1S/C15H11N3O2S/c1-8-2-11(13-6-21-7-16-13)17-10-4-14-12(3-9(8)10)18-15(19)5-20-14/h2-4,6-7H,5H2,1H3,(H,18,19)
InChIKeyMIZAGKLMEVLHBX-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.00
Rot. Bonds1

About 9-methyl-7-(1,3-thiazol-4-yl)-1H-pyrido[3,2-g][1,4]benzoxazin-2-one

9-methyl-7-(1,3-thiazol-4-yl)-1H-pyrido[3,2-g][1,4]benzoxazin-2-one (PubChem CID 169416854) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is 9-methyl-7-(1,3-thiazol-4-yl)-1H-pyrido[3,2-g][1,4]benzoxazin-2-one.

Molecular Properties

Compound Name9-methyl-7-(1,3-thiazol-4-yl)-1H-pyrido[3,2-g][1,4]benzoxazin-2-one
PubChem CID169416854
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC Name9-methyl-7-(1,3-thiazol-4-yl)-1H-pyrido[3,2-g][1,4]benzoxazin-2-one
SMILESCc1cc(-c2cscn2)nc2cc3c(cc12)NC(=O)CO3
InChIInChI=1S/C15H11N3O2S/c1-8-2-11(13-6-21-7-16-13)17-10-4-14-12(3-9(8)10)18-15(19)5-20-14/h2-4,6-7H,5H2,1H3,(H,18,19)
InChIKeyMIZAGKLMEVLHBX-UHFFFAOYSA-N
XLogP3.00
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-methyl-7-(1,3-thiazol-4-yl)-1H-pyrido[3,2-g][1,4]benzoxazin-2-one with MolForge

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Related Compounds

3,6-dihydropyrimido[5,4-g][1,4]benzoxazine-4,7-dione
CID 140823667
1-[4-methyl-2-(1,3-thiazol-4-yl)quinolin-6-yl]pyrrolidin-2-one
CID 169422309
4,6-dihydropyrazino[2,3-g][1,4]benzoxazine-3,7-dione
CID 90860605
6-amino-7-methyl-4H-1,4-benzoxazin-3-one
CID 16765287
7-amino-6-methyl-4H-1,4-benzoxazin-3-one
CID 19908759
7-methyl-1H-pyrido[3,4-b][1,4]oxazin-2-one;molecular hydrogen
CID 145497410
6-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 35618455
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide
CID 55133554
6-(2-amino-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 2061961
6-(2-chloro-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 116968112
4-(7-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-4-oxobutanoic acid
CID 15599397
6-phosphanyl-4H-1,4-benzoxazin-3-one
CID 142138259

Frequently Asked Questions

What is the IUPAC name of 9-methyl-7-(1,3-thiazol-4-yl)-1H-pyrido[3,2-g][1,4]benzoxazin-2-one?
The IUPAC name of 9-methyl-7-(1,3-thiazol-4-yl)-1H-pyrido[3,2-g][1,4]benzoxazin-2-one (CID 169416854) is 9-methyl-7-(1,3-thiazol-4-yl)-1H-pyrido[3,2-g][1,4]benzoxazin-2-one.
What is the SMILES notation for 9-methyl-7-(1,3-thiazol-4-yl)-1H-pyrido[3,2-g][1,4]benzoxazin-2-one?
The canonical SMILES for 9-methyl-7-(1,3-thiazol-4-yl)-1H-pyrido[3,2-g][1,4]benzoxazin-2-one is Cc1cc(-c2cscn2)nc2cc3c(cc12)NC(=O)CO3.
What is the InChIKey of 9-methyl-7-(1,3-thiazol-4-yl)-1H-pyrido[3,2-g][1,4]benzoxazin-2-one?
The InChIKey is MIZAGKLMEVLHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2S/c1-8-2-11(13-6-21-7-16-13)17-10-4-14-12(3-9(8)10)18-15(19)5-20-14/h2-4,6-7H,5H2,1H3,(H,18,19).
What are the key properties of 9-methyl-7-(1,3-thiazol-4-yl)-1H-pyrido[3,2-g][1,4]benzoxazin-2-one?
9-methyl-7-(1,3-thiazol-4-yl)-1H-pyrido[3,2-g][1,4]benzoxazin-2-one has a molecular weight of 297.34 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-7-(1,3-thiazol-4-yl)-1H-pyrido[3,2-g][1,4]benzoxazin-2-one is sourced from PubChem (CID 169416854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).