2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-2-carboxamide

C126H116N26O18S2 — CID 160749515

About 2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-2-carboxamide

2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-2-carboxamide (PubChem CID 160749515) has the molecular formula C126H116N26O18S2 and a molecular weight of 2346.61 g/mol. Its IUPAC name is 2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-2-carboxamide
• PubChem CID: 160749515
• Molecular Formula: C126H116N26O18S2
• Molecular Weight: 2346.61 g/mol
• Exact Mass: 2344.84
• IUPAC Name: 2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-2-carboxamide
• SMILES: CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)c4sccc4n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)cc(-c4ccnn4C)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)nc4ccsc34)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc4c(c(C(N)=O)n3)CC(C)(C)CC4)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc4c(c(C(N)=O)n3)CCCC4)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nccc(C(N)=O)n3)c2)C1=O
• InChI: InChI=1S/C24H26N4O3.C22H20N6O3.C22H22N4O3.2C20H16N4O3S.C18H16N4O3/c1-23(2)9-8-18-17(14-23)19(20(25)29)27-21(26-18)16-6-4-5-15(13-16)7-10-24(31)11-12-28(3)22(24)30;1-27-11-9-22(31,21(27)30)8-6-14-4-3-5-15(12-14)20-25-16(13-17(26-20)19(23)29)18-7-10-24-28(18)2;1-26-12-11-22(29,21(26)28)10-9-14-5-4-6-15(13-14)20-24-17-8-3-2-7-16(17)18(25-20)19(23)27;1-24-9-8-20(27,19(24)26)7-5-12-3-2-4-13(11-12)18-22-14-6-10-28-16(14)15(23-18)17(21)25;1-24-9-8-20(27,19(24)26)7-5-12-3-2-4-13(11-12)15-16-14(6-10-28-16)22-18(23-15)17(21)25;1-22-10-8-18(25,17(22)24)7-5-12-3-2-4-13(11-12)16-20-9-6-14(21-16)15(19)23/h4-6,13,31H,8-9,11-12,14H2,1-3H3,(H2,25,29);3-5,7,10,12-13,31H,9,11H2,1-2H3,(H2,23,29);4-6,13,29H,2-3,7-8,11-12H2,1H3,(H2,23,27);2*2-4,6,10-11,27H,8-9H2,1H3,(H2,21,25);2-4,6,9,11,25H,8,10H2,1H3,(H2,19,23)/t24-;2*22-;2*20-;18-/m000000/s1
• InChIKey: RWQBPDJTBJOSOC-YOLFMVOTSA-N
• XLogP: 6.35
• TPSA: 674.28 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 34
• Rotatable Bonds: 13
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2346.61
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-2-carboxamide?

The IUPAC name of 2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-2-carboxamide (CID 160749515) is 2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-2-carboxamide.

What is the SMILES notation for 2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-2-carboxamide?

The canonical SMILES for 2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-2-carboxamide is CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)c4sccc4n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)cc(-c4ccnn4C)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)nc4ccsc34)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc4c(c(C(N)=O)n3)CC(C)(C)CC4)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc4c(c(C(N)=O)n3)CCCC4)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nccc(C(N)=O)n3)c2)C1=O.

What is the InChIKey of 2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-2-carboxamide?

The InChIKey is RWQBPDJTBJOSOC-YOLFMVOTSA-N. The full InChI is InChI=1S/C24H26N4O3.C22H20N6O3.C22H22N4O3.2C20H16N4O3S.C18H16N4O3/c1-23(2)9-8-18-17(14-23)19(20(25)29)27-21(26-18)16-6-4-5-15(13-16)7-10-24(31)11-12-28(3)22(24)30;1-27-11-9-22(31,21(27)30)8-6-14-4-3-5-15(12-14)20-25-16(13-17(26-20)19(23)29)18-7-10-24-28(18)2;1-26-12-11-22(29,21(26)28)10-9-14-5-4-6-15(13-14)20-24-17-8-3-2-7-16(17)18(25-20)19(23)27;1-24-9-8-20(27,19(24)26)7-5-12-3-2-4-13(11-12)18-22-14-6-10-28-16(14)15(23-18)17(21)25;1-24-9-8-20(27,19(24)26)7-5-12-3-2-4-13(11-12)15-16-14(6-10-28-16)22-18(23-15)17(21)25;1-22-10-8-18(25,17(22)24)7-5-12-3-2-4-13(11-12)16-20-9-6-14(21-16)15(19)23/h4-6,13,31H,8-9,11-12,14H2,1-3H3,(H2,25,29);3-5,7,10,12-13,31H,9,11H2,1-2H3,(H2,23,29);4-6,13,29H,2-3,7-8,11-12H2,1H3,(H2,23,27);2*2-4,6,10-11,27H,8-9H2,1H3,(H2,21,25);2-4,6,9,11,25H,8,10H2,1H3,(H2,19,23)/t24-;2*22-;2*20-;18-/m000000/s1.

What are the key properties of 2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-2-carboxamide?

2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-2-carboxamide has a molecular weight of 2346.61 g/mol, XLogP of 6.35, 13 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]thieno[3,2-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 160749515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).