6-methyl-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one

C24H20N4O4S — CID 24527265

IUPAC6-methyl-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2ncn(CC(=O)N3CCCc4cc([N+](=O)[O-])ccc43)c(=O)c2c1-c1ccccc1
InChIInChI=1S/C24H20N4O4S/c1-15-21(16-6-3-2-4-7-16)22-23(33-15)25-14-26(24(22)30)13-20(29)27-11-5-8-17-12-18(28(31)32)9-10-19(17)27/h2-4,6-7,9-10,12,14H,5,8,11,13H2,1H3
InChIKeyPVNQAEJAXUNLLT-UHFFFAOYSA-N
MW460.52 g/mol
LogP4.32
Rot. Bonds4

About 6-methyl-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one

6-methyl-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one (PubChem CID 24527265) has the molecular formula C24H20N4O4S and a molecular weight of 460.52 g/mol. Its IUPAC name is 6-methyl-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one
PubChem CID24527265
Molecular FormulaC24H20N4O4S
Molecular Weight460.52 g/mol
Exact Mass460.12
IUPAC Name6-methyl-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2ncn(CC(=O)N3CCCc4cc([N+](=O)[O-])ccc43)c(=O)c2c1-c1ccccc1
InChIInChI=1S/C24H20N4O4S/c1-15-21(16-6-3-2-4-7-16)22-23(33-15)25-14-26(24(22)30)13-20(29)27-11-5-8-17-12-18(28(31)32)9-10-19(17)27/h2-4,6-7,9-10,12,14H,5,8,11,13H2,1H3
InChIKeyPVNQAEJAXUNLLT-UHFFFAOYSA-N
XLogP4.32
TPSA98.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.52
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-methyl-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one 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

6-methyl-3-[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 27353527
5,6-dimethyl-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 27324232
1-methyl-5-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 26970890
7-chloro-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]quinazolin-4-one
CID 24528444
6-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 7456771
6-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 2532904
6-methyl-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 2532899
[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27939954
N-(1-cyanocyclohexyl)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7560977
N-(4-methyl-2-nitrophenyl)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 35777806
2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40846792
2-phenylethyl 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 40860217

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one (CID 24527265) is 6-methyl-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one is Cc1sc2ncn(CC(=O)N3CCCc4cc([N+](=O)[O-])ccc43)c(=O)c2c1-c1ccccc1.
What is the InChIKey of 6-methyl-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is PVNQAEJAXUNLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4S/c1-15-21(16-6-3-2-4-7-16)22-23(33-15)25-14-26(24(22)30)13-20(29)27-11-5-8-17-12-18(28(31)32)9-10-19(17)27/h2-4,6-7,9-10,12,14H,5,8,11,13H2,1H3.
What are the key properties of 6-methyl-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one?
6-methyl-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 460.52 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 24527265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).