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

C18H17N3O2S — CID 27333131

IUPAC4-[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2H-phthalazin-1-one
SMILESC[C@@H]1c2ccsc2CCN1C(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C18H17N3O2S/c1-11-12-7-9-24-16(12)6-8-21(11)17(22)10-15-13-4-2-3-5-14(13)18(23)20-19-15/h2-5,7,9,11H,6,8,10H2,1H3,(H,20,23)/t11-/m1/s1
InChIKeyRJZRXYMXUKQVJB-LLVKDONJSA-N
MW339.42 g/mol
LogP2.67
Rot. Bonds2

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

4-[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2H-phthalazin-1-one (PubChem CID 27333131) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2H-phthalazin-1-one
PubChem CID27333131
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name4-[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2H-phthalazin-1-one
SMILESC[C@@H]1c2ccsc2CCN1C(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C18H17N3O2S/c1-11-12-7-9-24-16(12)6-8-21(11)17(22)10-15-13-4-2-3-5-14(13)18(23)20-19-15/h2-5,7,9,11H,6,8,10H2,1H3,(H,20,23)/t11-/m1/s1
InChIKeyRJZRXYMXUKQVJB-LLVKDONJSA-N
XLogP2.67
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2H-phthalazin-1-one
CID 71901472
4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
CID 51473384
4-[2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2H-phthalazin-1-one
CID 18775370
4-[2-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
CID 167891225
N-benzyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47121151
4-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
CID 94637149
3-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]quinazolin-4-one
CID 51280886
4-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]-2H-phthalazin-1-one
CID 24626134
3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-pyridazin-6-one
CID 103604024
3-(2-aminophenyl)-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 120608334
(2S,4S)-4-hydroxy-1-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 40816558
4-methyl-5-oxo-1-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperazine-2-carboxylic acid
CID 167858901

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2H-phthalazin-1-one (CID 27333131) is 4-[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2H-phthalazin-1-one is C[C@@H]1c2ccsc2CCN1C(=O)Cc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 4-[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2H-phthalazin-1-one?
The InChIKey is RJZRXYMXUKQVJB-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-11-12-7-9-24-16(12)6-8-21(11)17(22)10-15-13-4-2-3-5-14(13)18(23)20-19-15/h2-5,7,9,11H,6,8,10H2,1H3,(H,20,23)/t11-/m1/s1.
What are the key properties of 4-[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2H-phthalazin-1-one?
4-[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2H-phthalazin-1-one has a molecular weight of 339.42 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2H-phthalazin-1-one is sourced from PubChem (CID 27333131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).