7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4H-1,4-benzoxazin-3-one

C16H14N2O3S — CID 42470661

IUPAC7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2cc(C(=O)N3CCc4sccc4C3)ccc2N1
InChIInChI=1S/C16H14N2O3S/c19-15-9-21-13-7-10(1-2-12(13)17-15)16(20)18-5-3-14-11(8-18)4-6-22-14/h1-2,4,6-7H,3,5,8-9H2,(H,17,19)
InChIKeyITTIGVHPUWZTEN-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.28
Rot. Bonds1

About 7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4H-1,4-benzoxazin-3-one

7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4H-1,4-benzoxazin-3-one (PubChem CID 42470661) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is 7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4H-1,4-benzoxazin-3-one
PubChem CID42470661
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2cc(C(=O)N3CCc4sccc4C3)ccc2N1
InChIInChI=1S/C16H14N2O3S/c19-15-9-21-13-7-10(1-2-12(13)17-15)16(20)18-5-3-14-11(8-18)4-6-22-14/h1-2,4,6-7H,3,5,8-9H2,(H,17,19)
InChIKeyITTIGVHPUWZTEN-UHFFFAOYSA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 30454724
N-[2-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 55717337
2-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 75433522
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(1H-indazol-6-yl)methanone
CID 60715121
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-pyridin-2-one
CID 113257128
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid
CID 43452700
7-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-4H-1,4-benzoxazin-3-one
CID 32852711
6-(4-oxopiperidine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 96669404
1-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)piperidine-4-carbonitrile
CID 49063777
3-fluoro-1-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)pyrrolidine-3-carboxylic acid
CID 119259391
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(1H-pyrazol-4-yl)methanone
CID 43582358
7-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 115966211

Frequently Asked Questions

What is the IUPAC name of 7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4H-1,4-benzoxazin-3-one (CID 42470661) is 7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4H-1,4-benzoxazin-3-one is O=C1COc2cc(C(=O)N3CCc4sccc4C3)ccc2N1.
What is the InChIKey of 7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4H-1,4-benzoxazin-3-one?
The InChIKey is ITTIGVHPUWZTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c19-15-9-21-13-7-10(1-2-12(13)17-15)16(20)18-5-3-14-11(8-18)4-6-22-14/h1-2,4,6-7H,3,5,8-9H2,(H,17,19).
What are the key properties of 7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4H-1,4-benzoxazin-3-one?
7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4H-1,4-benzoxazin-3-one has a molecular weight of 314.37 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 42470661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).