2-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide

C26H24N4O4S — CID 5072123

IUPAC2-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1cnc2sc(C(=O)N3CCCc4ccccc43)c(C)c2c1=O
InChIInChI=1S/C26H24N4O4S/c1-16-22-24(35-23(16)26(33)30-13-7-9-17-8-3-5-11-19(17)30)27-15-29(25(22)32)14-21(31)28-18-10-4-6-12-20(18)34-2/h3-6,8,10-12,15H,7,9,13-14H2,1-2H3,(H,28,31)
InChIKeyFAKORMPUVLTILH-UHFFFAOYSA-N
MW488.57 g/mol
LogP4.01
Rot. Bonds5

About 2-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide

2-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 5072123) has the molecular formula C26H24N4O4S and a molecular weight of 488.57 g/mol. Its IUPAC name is 2-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID5072123
Molecular FormulaC26H24N4O4S
Molecular Weight488.57 g/mol
Exact Mass488.15
IUPAC Name2-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1cnc2sc(C(=O)N3CCCc4ccccc43)c(C)c2c1=O
InChIInChI=1S/C26H24N4O4S/c1-16-22-24(35-23(16)26(33)30-13-7-9-17-8-3-5-11-19(17)30)27-15-29(25(22)32)14-21(31)28-18-10-4-6-12-20(18)34-2/h3-6,8,10-12,15H,7,9,13-14H2,1-2H3,(H,28,31)
InChIKeyFAKORMPUVLTILH-UHFFFAOYSA-N
XLogP4.01
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 6488740
N-(2-methoxyphenyl)-2-[5-methyl-6-(2-methylpiperidine-1-carbonyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 5072117
N-(2-methoxyphenyl)-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide
CID 5072120
3-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-4-oxo-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 1092096
N-(2-methoxyphenyl)-5-methyl-3-[2-(2-methylanilino)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 1182133
N-(2-methoxyphenyl)-5-methyl-3-[2-(4-methylanilino)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 23731476
3-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 40862663
2-[[3-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl]amino]ethyl-dimethylazanium
CID 5077735
3-[2-(4-ethoxyanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 40913563
N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 38749258
3-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 44640299
3-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 40883301

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide (CID 5072123) is 2-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)Cn1cnc2sc(C(=O)N3CCCc4ccccc43)c(C)c2c1=O.
What is the InChIKey of 2-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is FAKORMPUVLTILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4S/c1-16-22-24(35-23(16)26(33)30-13-7-9-17-8-3-5-11-19(17)30)27-15-29(25(22)32)14-21(31)28-18-10-4-6-12-20(18)34-2/h3-6,8,10-12,15H,7,9,13-14H2,1-2H3,(H,28,31).
What are the key properties of 2-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide?
2-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 488.57 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 5072123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).