4-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-1,4-benzoxazin-3-one

C19H20N2O3S — CID 51239658

IUPAC4-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-1,4-benzoxazin-3-one
SMILESCC1c2ccsc2CCN1C(=O)CCN1C(=O)COc2ccccc21
InChIInChI=1S/C19H20N2O3S/c1-13-14-8-11-25-17(14)6-9-20(13)18(22)7-10-21-15-4-2-3-5-16(15)24-12-19(21)23/h2-5,8,11,13H,6-7,9-10,12H2,1H3
InChIKeyUXMZAADMADCVEY-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.01
Rot. Bonds3

About 4-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-1,4-benzoxazin-3-one

4-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-1,4-benzoxazin-3-one (PubChem CID 51239658) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-1,4-benzoxazin-3-one
PubChem CID51239658
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name4-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-1,4-benzoxazin-3-one
SMILESCC1c2ccsc2CCN1C(=O)CCN1C(=O)COc2ccccc21
InChIInChI=1S/C19H20N2O3S/c1-13-14-8-11-25-17(14)6-9-20(13)18(22)7-10-21-15-4-2-3-5-16(15)24-12-19(21)23/h2-5,8,11,13H,6-7,9-10,12H2,1H3
InChIKeyUXMZAADMADCVEY-UHFFFAOYSA-N
XLogP3.01
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-1,4-benzoxazin-3-one with MolForge

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Related Compounds

2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 119212536
4-(3-oxo-3-piperidin-1-ylpropyl)-1,4-benzoxazin-3-one
CID 5018828
4-[3-(2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxopropyl]-1,4-benzoxazin-3-one
CID 51205452
3-(furan-2-yl)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 94463277
phenyl 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 9192012
3-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]quinazolin-4-one
CID 51280886
4-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazin-3-one
CID 86926548
5-chloro-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one
CID 54916161
(3R)-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 125132495
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 55664250
5-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 70722228
2-chloro-N-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]benzamide
CID 8949001

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-1,4-benzoxazin-3-one?
The IUPAC name of 4-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-1,4-benzoxazin-3-one (CID 51239658) is 4-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 4-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-1,4-benzoxazin-3-one is CC1c2ccsc2CCN1C(=O)CCN1C(=O)COc2ccccc21.
What is the InChIKey of 4-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-1,4-benzoxazin-3-one?
The InChIKey is UXMZAADMADCVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-13-14-8-11-25-17(14)6-9-20(13)18(22)7-10-21-15-4-2-3-5-16(15)24-12-19(21)23/h2-5,8,11,13H,6-7,9-10,12H2,1H3.
What are the key properties of 4-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-1,4-benzoxazin-3-one?
4-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-1,4-benzoxazin-3-one has a molecular weight of 356.45 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 51239658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).