5-methyl-4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide

C28H25N5O3S — CID 126479776

IUPAC5-methyl-4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)Nc2cnc3ccccc3c2)sc2ncn(CC(=O)Nc3ccc(C(C)C)cc3)c(=O)c12
InChIInChI=1S/C28H25N5O3S/c1-16(2)18-8-10-20(11-9-18)31-23(34)14-33-15-30-27-24(28(33)36)17(3)25(37-27)26(35)32-21-12-19-6-4-5-7-22(19)29-13-21/h4-13,15-16H,14H2,1-3H3,(H,31,34)(H,32,35)
InChIKeyUKPYDTJJUXFRCZ-UHFFFAOYSA-N
MW511.61 g/mol
LogP5.33
Rot. Bonds6

About 5-methyl-4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide

5-methyl-4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 126479776) has the molecular formula C28H25N5O3S and a molecular weight of 511.61 g/mol. Its IUPAC name is 5-methyl-4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID126479776
Molecular FormulaC28H25N5O3S
Molecular Weight511.61 g/mol
Exact Mass511.17
IUPAC Name5-methyl-4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)Nc2cnc3ccccc3c2)sc2ncn(CC(=O)Nc3ccc(C(C)C)cc3)c(=O)c12
InChIInChI=1S/C28H25N5O3S/c1-16(2)18-8-10-20(11-9-18)31-23(34)14-33-15-30-27-24(28(33)36)17(3)25(37-27)26(35)32-21-12-19-6-4-5-7-22(19)29-13-21/h4-13,15-16H,14H2,1-3H3,(H,31,34)(H,32,35)
InChIKeyUKPYDTJJUXFRCZ-UHFFFAOYSA-N
XLogP5.33
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.61
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-methyl-4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide 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

5-methyl-4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 126479873
N-(3-methoxypropyl)-5-methyl-4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 126479780
2-methylpropyl 5-methyl-3-[2-(naphthalen-2-ylamino)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 40913538
N-(1,3-benzothiazol-2-yl)-3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 3527216
N-(2-methoxyphenyl)-5-methyl-3-[2-(4-methylanilino)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 23731476
5-methyl-4-oxo-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 40823874
3-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-4-oxo-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 1092096
3-[2-(2-bromoanilino)-2-oxoethyl]-5-methyl-4-oxo-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 40913826
3-[2-(4-anilinoanilino)-2-oxoethyl]-N-(2,4-dimethylphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 110659850
3-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 40862663
2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-N-quinolin-3-ylacetamide
CID 23768732
2-[5-methyl-6-(3-methylpiperidine-1-carbonyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 126479767

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide (CID 126479776) is 5-methyl-4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)Nc2cnc3ccccc3c2)sc2ncn(CC(=O)Nc3ccc(C(C)C)cc3)c(=O)c12.
What is the InChIKey of 5-methyl-4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is UKPYDTJJUXFRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O3S/c1-16(2)18-8-10-20(11-9-18)31-23(34)14-33-15-30-27-24(28(33)36)17(3)25(37-27)26(35)32-21-12-19-6-4-5-7-22(19)29-13-21/h4-13,15-16H,14H2,1-3H3,(H,31,34)(H,32,35).
What are the key properties of 5-methyl-4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide?
5-methyl-4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 511.61 g/mol, XLogP of 5.33, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 126479776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).