6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methylpyridazino[4,5-b][1,4]thiazine-3,5-dione

C18H18N4O3S — CID 53136254

IUPAC6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methylpyridazino[4,5-b][1,4]thiazine-3,5-dione
SMILESCN1C(=O)CSc2cnn(CC(=O)N3CCCc4ccccc43)c(=O)c21
InChIInChI=1S/C18H18N4O3S/c1-20-16(24)11-26-14-9-19-22(18(25)17(14)20)10-15(23)21-8-4-6-12-5-2-3-7-13(12)21/h2-3,5,7,9H,4,6,8,10-11H2,1H3
InChIKeyKSJQNVSIMGMHSM-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.29
Rot. Bonds2

About 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methylpyridazino[4,5-b][1,4]thiazine-3,5-dione

6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methylpyridazino[4,5-b][1,4]thiazine-3,5-dione (PubChem CID 53136254) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methylpyridazino[4,5-b][1,4]thiazine-3,5-dione.

Molecular Properties

Compound Name6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methylpyridazino[4,5-b][1,4]thiazine-3,5-dione
PubChem CID53136254
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methylpyridazino[4,5-b][1,4]thiazine-3,5-dione
SMILESCN1C(=O)CSc2cnn(CC(=O)N3CCCc4ccccc43)c(=O)c21
InChIInChI=1S/C18H18N4O3S/c1-20-16(24)11-26-14-9-19-22(18(25)17(14)20)10-15(23)21-8-4-6-12-5-2-3-7-13(12)21/h2-3,5,7,9H,4,6,8,10-11H2,1H3
InChIKeyKSJQNVSIMGMHSM-UHFFFAOYSA-N
XLogP1.29
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methylpyridazino[4,5-b][1,4]thiazine-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 27559360
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-propylpyridazino[4,5-b]indol-4-one
CID 20912849
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)ethanone
CID 177035206
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
CID 53136260
5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-methyl-3H-indol-2-one
CID 110768320
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]sulfanylpropan-1-one
CID 3609864
2-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phthalazin-1-one
CID 55674060
6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one
CID 16847048
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one
CID 15999898

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methylpyridazino[4,5-b][1,4]thiazine-3,5-dione?
The IUPAC name of 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methylpyridazino[4,5-b][1,4]thiazine-3,5-dione (CID 53136254) is 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methylpyridazino[4,5-b][1,4]thiazine-3,5-dione.
What is the SMILES notation for 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methylpyridazino[4,5-b][1,4]thiazine-3,5-dione?
The canonical SMILES for 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methylpyridazino[4,5-b][1,4]thiazine-3,5-dione is CN1C(=O)CSc2cnn(CC(=O)N3CCCc4ccccc43)c(=O)c21.
What is the InChIKey of 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methylpyridazino[4,5-b][1,4]thiazine-3,5-dione?
The InChIKey is KSJQNVSIMGMHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-20-16(24)11-26-14-9-19-22(18(25)17(14)20)10-15(23)21-8-4-6-12-5-2-3-7-13(12)21/h2-3,5,7,9H,4,6,8,10-11H2,1H3.
What are the key properties of 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methylpyridazino[4,5-b][1,4]thiazine-3,5-dione?
6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methylpyridazino[4,5-b][1,4]thiazine-3,5-dione has a molecular weight of 370.43 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methylpyridazino[4,5-b][1,4]thiazine-3,5-dione is sourced from PubChem (CID 53136254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).