5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-7-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one

C27H27N5O2S — CID 45498091

IUPAC5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-7-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESO=C(Cn1nc(-c2ccccc2)c2sc(N3CCCCC3)nc2c1=O)N1CCCc2ccccc21
InChIInChI=1S/C27H27N5O2S/c33-22(31-17-9-13-19-10-5-6-14-21(19)31)18-32-26(34)24-25(23(29-32)20-11-3-1-4-12-20)35-27(28-24)30-15-7-2-8-16-30/h1,3-6,10-12,14H,2,7-9,13,15-18H2
InChIKeyNRFBOZKGKUDDPG-UHFFFAOYSA-N
MW485.61 g/mol
LogP4.49
Rot. Bonds4

About 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-7-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one

5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-7-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one (PubChem CID 45498091) has the molecular formula C27H27N5O2S and a molecular weight of 485.61 g/mol. Its IUPAC name is 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-7-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-7-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one
PubChem CID45498091
Molecular FormulaC27H27N5O2S
Molecular Weight485.61 g/mol
Exact Mass485.19
IUPAC Name5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-7-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESO=C(Cn1nc(-c2ccccc2)c2sc(N3CCCCC3)nc2c1=O)N1CCCc2ccccc21
InChIInChI=1S/C27H27N5O2S/c33-22(31-17-9-13-19-10-5-6-14-21(19)31)18-32-26(34)24-25(23(29-32)20-11-3-1-4-12-20)35-27(28-24)30-15-7-2-8-16-30/h1,3-6,10-12,14H,2,7-9,13,15-18H2
InChIKeyNRFBOZKGKUDDPG-UHFFFAOYSA-N
XLogP4.49
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-7-(3-methoxyphenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 16906532
benzyl 2-(4-oxo-7-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetate
CID 45498100
5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-7-(3-methoxyphenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 16812691
N-(furan-2-ylmethyl)-2-(4-oxo-7-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
CID 45498097
2-[2-(azepan-1-yl)-4-hydroxy-1,3-thiazol-5-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 90882067
1-(2,3-dihydroindol-1-yl)-2-(3-phenylindazol-1-yl)ethanone
CID 20877555
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone
CID 2433301
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 51363612
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-10-methyl-[1,2,4]triazino[4,3-a]benzimidazole-3,4-dione
CID 1435083
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 9439842
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-6-phenylpyrimidin-4-one
CID 7747963
[6-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 84573748

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-7-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-7-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one (CID 45498091) is 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-7-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-7-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-7-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one is O=C(Cn1nc(-c2ccccc2)c2sc(N3CCCCC3)nc2c1=O)N1CCCc2ccccc21.
What is the InChIKey of 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-7-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The InChIKey is NRFBOZKGKUDDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2S/c33-22(31-17-9-13-19-10-5-6-14-21(19)31)18-32-26(34)24-25(23(29-32)20-11-3-1-4-12-20)35-27(28-24)30-15-7-2-8-16-30/h1,3-6,10-12,14H,2,7-9,13,15-18H2.
What are the key properties of 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-7-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-7-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one has a molecular weight of 485.61 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-7-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 45498091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).