tert-butylbenzene;methane;6-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;6-propan-2-ylquinoxaline

C59H85N9 — CID 161366721

IUPACtert-butylbenzene;methane;6-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;6-propan-2-ylquinoxaline
SMILESC.C.C.C.C.C.CC(C)(C)c1ccccc1.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2nccnc2c1.CC(C)c1ccc2nccnc2n1.CC(C)c1cnc2nccnc2c1
InChIInChI=1S/C12H13N.C11H12N2.2C10H11N3.C10H14.6CH4/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-7(2)8-5-9-10(13-6-8)12-4-3-11-9;1-7(2)8-3-4-9-10(13-8)12-6-5-11-9;1-10(2,3)9-7-5-4-6-8-9;;;;;;/h3-9H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;4-8H,1-3H3;6*1H4
InChIKeyVPXJXXSPEOANLD-UHFFFAOYSA-N
MW920.39 g/mol
LogP17.21
Rot. Bonds4

About tert-butylbenzene;methane;6-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;6-propan-2-ylquinoxaline

tert-butylbenzene;methane;6-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;6-propan-2-ylquinoxaline (PubChem CID 161366721) has the molecular formula C59H85N9 and a molecular weight of 920.39 g/mol. Its IUPAC name is tert-butylbenzene;methane;6-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;6-propan-2-ylquinoxaline.

Molecular Properties

Compound Nametert-butylbenzene;methane;6-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;6-propan-2-ylquinoxaline
PubChem CID161366721
Molecular FormulaC59H85N9
Molecular Weight920.39 g/mol
Exact Mass919.69
IUPAC Nametert-butylbenzene;methane;6-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;6-propan-2-ylquinoxaline
SMILESC.C.C.C.C.C.CC(C)(C)c1ccccc1.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2nccnc2c1.CC(C)c1ccc2nccnc2n1.CC(C)c1cnc2nccnc2c1
InChIInChI=1S/C12H13N.C11H12N2.2C10H11N3.C10H14.6CH4/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-7(2)8-5-9-10(13-6-8)12-4-3-11-9;1-7(2)8-3-4-9-10(13-8)12-6-5-11-9;1-10(2,3)9-7-5-4-6-8-9;;;;;;/h3-9H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;4-8H,1-3H3;6*1H4
InChIKeyVPXJXXSPEOANLD-UHFFFAOYSA-N
XLogP17.21
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.39
LogP ≤ 517.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze tert-butylbenzene;methane;6-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;6-propan-2-ylquinoxaline with MolForge

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Related Compounds

2-propan-2-ylquinoline;6-propan-2-ylquinoline
CID 67193731
methane;2-propan-2-ylquinoline
CID 161334581
ethane;2-propan-2-ylquinoline
CID 142538504
4-propan-2-ylquinazoline;2-propan-2-ylquinoline
CID 160668104
N'-pyrido[2,3-b]pyrazin-6-yl-N-quinolin-2-ylethane-1,2-diamine
CID 133309761
pyrazino[2,3-b]quinoline
CID 70431198
1-pyrido[2,3-b]pyrazin-6-ylethanamine
CID 84654910
2-(1-chloroethyl)quinoline
CID 14750485
cumene;2-propan-2-ylacridine;bis(2-propan-2-ylanthracene);2-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-ylquinazoline;2-propan-2-ylquinoxaline
CID 158546913
2-iodo-7-propan-2-ylquinoline
CID 155701301
6-(6-propan-2-yl-3-pyridinyl)quinoxaline
CID 174955208
2-(2,2,2-trifluoro-1-phenylethyl)quinoline
CID 122207773

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;methane;6-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;6-propan-2-ylquinoxaline?
The IUPAC name of tert-butylbenzene;methane;6-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;6-propan-2-ylquinoxaline (CID 161366721) is tert-butylbenzene;methane;6-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;6-propan-2-ylquinoxaline.
What is the SMILES notation for tert-butylbenzene;methane;6-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;6-propan-2-ylquinoxaline?
The canonical SMILES for tert-butylbenzene;methane;6-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;6-propan-2-ylquinoxaline is C.C.C.C.C.C.CC(C)(C)c1ccccc1.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2nccnc2c1.CC(C)c1ccc2nccnc2n1.CC(C)c1cnc2nccnc2c1.
What is the InChIKey of tert-butylbenzene;methane;6-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;6-propan-2-ylquinoxaline?
The InChIKey is VPXJXXSPEOANLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.C11H12N2.2C10H11N3.C10H14.6CH4/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-7(2)8-5-9-10(13-6-8)12-4-3-11-9;1-7(2)8-3-4-9-10(13-8)12-6-5-11-9;1-10(2,3)9-7-5-4-6-8-9;;;;;;/h3-9H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;4-8H,1-3H3;6*1H4.
What are the key properties of tert-butylbenzene;methane;6-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;6-propan-2-ylquinoxaline?
tert-butylbenzene;methane;6-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;6-propan-2-ylquinoxaline has a molecular weight of 920.39 g/mol, XLogP of 17.21, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;methane;6-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;6-propan-2-ylquinoxaline is sourced from PubChem (CID 161366721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).