4-tert-butyl-8H-quinolin-7-one;methane;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine

C104H149N11O2S2 — CID 157423570

IUPAC4-tert-butyl-8H-quinolin-7-one;methane;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine
SMILESC.C.C.C.C.C.C.C.CC(C)(C)c1ccnc2c1C=CC(=O)C2.CC(C)c1ccnc2c1C=CC2.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2ccsc12.CC(C)c1ccnc2sccc12.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1cnn2ccccc12.CC(C)c1cnoc1
InChIInChI=1S/C13H15NO.C12H13N.C11H13N.C10H12N2.2C10H11NS.3C8H11N.C6H9NO.8CH4/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;3*1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-7-8-4-6;;;;;;;;/h4-7H,8H2,1-3H3;3-9H,1-2H3;3-4,6-8H,5H2,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;3*3-7H,1-2H3;3-5H,1-2H3;8*1H4
InChIKeyBPRSUZSVLFOALY-UHFFFAOYSA-N
MW1649.54 g/mol
LogP31.45
Rot. Bonds9

About 4-tert-butyl-8H-quinolin-7-one;methane;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;tris(4-propan-2-ylpyridine);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;methane;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine (PubChem CID 157423570) has the molecular formula C104H149N11O2S2 and a molecular weight of 1649.54 g/mol. Its IUPAC name is 4-tert-butyl-8H-quinolin-7-one;methane;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;tris(4-propan-2-ylpyridine);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;methane;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine
PubChem CID157423570
Molecular FormulaC104H149N11O2S2
Molecular Weight1649.54 g/mol
Exact Mass1648.13
IUPAC Name4-tert-butyl-8H-quinolin-7-one;methane;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine
SMILESC.C.C.C.C.C.C.C.CC(C)(C)c1ccnc2c1C=CC(=O)C2.CC(C)c1ccnc2c1C=CC2.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2ccsc12.CC(C)c1ccnc2sccc12.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1cnn2ccccc12.CC(C)c1cnoc1
InChIInChI=1S/C13H15NO.C12H13N.C11H13N.C10H12N2.2C10H11NS.3C8H11N.C6H9NO.8CH4/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;3*1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-7-8-4-6;;;;;;;;/h4-7H,8H2,1-3H3;3-9H,1-2H3;3-4,6-8H,5H2,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;3*3-7H,1-2H3;3-5H,1-2H3;8*1H4
InChIKeyBPRSUZSVLFOALY-UHFFFAOYSA-N
XLogP31.45
TPSA163.52 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001649.54
LogP ≤ 531.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-8H-quinolin-7-one;methane;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;tris(4-propan-2-ylpyridine);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;methane;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine (CID 157423570) is 4-tert-butyl-8H-quinolin-7-one;methane;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;tris(4-propan-2-ylpyridine);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;methane;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;tris(4-propan-2-ylpyridine);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;methane;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine is C.C.C.C.C.C.C.C.CC(C)(C)c1ccnc2c1C=CC(=O)C2.CC(C)c1ccnc2c1C=CC2.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2ccsc12.CC(C)c1ccnc2sccc12.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1cnn2ccccc12.CC(C)c1cnoc1.
What is the InChIKey of 4-tert-butyl-8H-quinolin-7-one;methane;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;tris(4-propan-2-ylpyridine);4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine?
The InChIKey is BPRSUZSVLFOALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO.C12H13N.C11H13N.C10H12N2.2C10H11NS.3C8H11N.C6H9NO.8CH4/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;3*1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-7-8-4-6;;;;;;;;/h4-7H,8H2,1-3H3;3-9H,1-2H3;3-4,6-8H,5H2,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;3*3-7H,1-2H3;3-5H,1-2H3;8*1H4.
What are the key properties of 4-tert-butyl-8H-quinolin-7-one;methane;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;tris(4-propan-2-ylpyridine);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;methane;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;tris(4-propan-2-ylpyridine);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 1649.54 g/mol, XLogP of 31.45, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-8H-quinolin-7-one;methane;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;tris(4-propan-2-ylpyridine);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 157423570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).