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

C83H102N12O2S2 — CID 159939138

IUPAC4-tert-butyl-8H-quinolin-7-one;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine
SMILESCC(C)(C)c1ccnc2c1C=CC(=O)C2.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2ccsc12.CC(C)c1ccnc2sccc12.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1cnn2ccccc12.CC(C)c1cnoc1
InChIInChI=1S/C13H15NO.C12H13N.C10H12N2.2C10H11NS.C8H11N.2C7H10N2.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)9-7-11-12-6-4-3-5-10(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;1-6(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/h4-7H,8H2,1-3H3;3-9H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3
InChIKeyOAQLLOTVLSRSGH-UHFFFAOYSA-N
MW1363.94 g/mol
LogP22.38
Rot. Bonds8

About 4-tert-butyl-8H-quinolin-7-one;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-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-8H-quinolin-7-one;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-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 159939138) has the molecular formula C83H102N12O2S2 and a molecular weight of 1363.94 g/mol. Its IUPAC name is 4-tert-butyl-8H-quinolin-7-one;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-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 Name4-tert-butyl-8H-quinolin-7-one;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine
PubChem CID159939138
Molecular FormulaC83H102N12O2S2
Molecular Weight1363.94 g/mol
Exact Mass1362.77
IUPAC Name4-tert-butyl-8H-quinolin-7-one;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine
SMILESCC(C)(C)c1ccnc2c1C=CC(=O)C2.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2ccsc12.CC(C)c1ccnc2sccc12.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1cnn2ccccc12.CC(C)c1cnoc1
InChIInChI=1S/C13H15NO.C12H13N.C10H12N2.2C10H11NS.C8H11N.2C7H10N2.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)9-7-11-12-6-4-3-5-10(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;1-6(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/h4-7H,8H2,1-3H3;3-9H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3
InChIKeyOAQLLOTVLSRSGH-UHFFFAOYSA-N
XLogP22.38
TPSA176.41 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001363.94
LogP ≤ 522.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-8H-quinolin-7-one;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-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-8H-quinolin-7-one;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine (CID 159939138) is 4-tert-butyl-8H-quinolin-7-one;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-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-8H-quinolin-7-one;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-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-8H-quinolin-7-one;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-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)c1ccnc2c1C=CC(=O)C2.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2ccsc12.CC(C)c1ccnc2sccc12.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1cnn2ccccc12.CC(C)c1cnoc1.
What is the InChIKey of 4-tert-butyl-8H-quinolin-7-one;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-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 OAQLLOTVLSRSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO.C12H13N.C10H12N2.2C10H11NS.C8H11N.2C7H10N2.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)9-7-11-12-6-4-3-5-10(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;1-6(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/h4-7H,8H2,1-3H3;3-9H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3.
What are the key properties of 4-tert-butyl-8H-quinolin-7-one;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-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-8H-quinolin-7-one;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-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 1363.94 g/mol, XLogP of 22.38, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-8H-quinolin-7-one;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-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 159939138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).