4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine

C116H148N18O2S2 — CID 158128308

About 4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine

4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine (PubChem CID 158128308) has the molecular formula C116H148N18O2S2 and a molecular weight of 1890.72 g/mol. Its IUPAC name is 4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine.

Molecular Properties

• Compound Name: 4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine
• PubChem CID: 158128308
• Molecular Formula: C116H148N18O2S2
• Molecular Weight: 1890.72 g/mol
• Exact Mass: 1889.15
• IUPAC Name: 4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine
• SMILES: CC(C)(C)c1ccnc2c1CCC(=O)C2.CC(C)c1cccnc1.CC(C)c1ccnc2c1C=CC2.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2ccsc12.CC(C)c1ccnc2sccc12.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnn2ccccc12.CC(C)c1cnoc1
• InChI: InChI=1S/C13H17NO.C12H13N.C11H13N.C10H12N2.2C10H11NS.2C8H11N.4C7H10N2.C6H9NO/c1-13(2,3)11-6-7-14-12-8-9(15)4-5-10(11)12;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)9-6-7-12-11-5-3-4-10(9)11;1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-7(2)8-3-5-11-9-4-6-12-10(8)9;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-5(2)6-3-7-8-4-6/h6-7H,4-5,8H2,1-3H3;3-9H,1-2H3;3-4,6-8H,5H2,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;2*3-7H,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3
• InChIKey: FSLMHBKWQFWDQM-UHFFFAOYSA-N
• XLogP: 30.47
• TPSA: 253.75 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1890.72
LogP ≤ 5	30.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine?

The IUPAC name of 4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine (CID 158128308) is 4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine.

What is the SMILES notation for 4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine?

The canonical SMILES for 4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine is CC(C)(C)c1ccnc2c1CCC(=O)C2.CC(C)c1cccnc1.CC(C)c1ccnc2c1C=CC2.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2ccsc12.CC(C)c1ccnc2sccc12.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnn2ccccc12.CC(C)c1cnoc1.

What is the InChIKey of 4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine?

The InChIKey is FSLMHBKWQFWDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C12H13N.C11H13N.C10H12N2.2C10H11NS.2C8H11N.4C7H10N2.C6H9NO/c1-13(2,3)11-6-7-14-12-8-9(15)4-5-10(11)12;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)9-6-7-12-11-5-3-4-10(9)11;1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-7(2)8-3-5-11-9-4-6-12-10(8)9;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-5(2)6-3-7-8-4-6/h6-7H,4-5,8H2,1-3H3;3-9H,1-2H3;3-4,6-8H,5H2,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;2*3-7H,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3.

What are the key properties of 4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine?

4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine has a molecular weight of 1890.72 g/mol, XLogP of 30.47, 12 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine is sourced from PubChem (CID 158128308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).