tert-butylbenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;6-tert-butyl-3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;7-tert-butyl-3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;6-tert-butyl-1,8-naphthyridin-2-amine;7-tert-butyl-1,8-naphthyridin-2-amine;7-tert-butyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one;8-tert-butyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one

C158H190Cl2F6N16O6 — CID 163956141

IUPACtert-butylbenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;6-tert-butyl-3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;7-tert-butyl-3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;6-tert-butyl-1,8-naphthyridin-2-amine;7-tert-butyl-1,8-naphthyridin-2-amine;7-tert-butyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one;8-tert-butyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one
SMILESCC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(F)cc1F.CC(C)(C)c1ccc2cc3c(nc2c1)NC(=O)CO3.CC(C)(C)c1ccc2ccc(N)nc2n1.CC(C)(C)c1ccc2nc3c(cc2c1)OCC(=O)N3.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccccc1.CC(C)(C)c1cnc2nc(N)ccc2c1.Cc1nocc1-c1cc2cc(C(C)(C)C)ccc2nc1N.Cc1nocc1-c1cc2ccc(C(C)(C)C)cc2nc1N
InChIInChI=1S/2C17H19N3O.2C15H16N2O2.2C12H15N3.2C10H13Cl.2C10H12F2.2C10H13F.C10H14/c1-10-14(9-21-20-10)13-8-11-7-12(17(2,3)4)5-6-15(11)19-16(13)18;1-10-14(9-21-20-10)13-7-11-5-6-12(17(2,3)4)8-15(11)19-16(13)18;1-15(2,3)10-4-5-11-9(6-10)7-12-14(16-11)17-13(18)8-19-12;1-15(2,3)10-5-4-9-6-12-14(16-11(9)7-10)17-13(18)8-19-12;1-12(2,3)9-6-4-8-5-7-10(13)15-11(8)14-9;1-12(2,3)9-6-8-4-5-10(13)15-11(8)14-7-9;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-5-4-7(11)6-9(8)12;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)9-7-5-4-6-8-9/h2*5-9H,1-4H3,(H2,18,19);2*4-7H,8H2,1-3H3,(H,16,17,18);2*4-7H,1-3H3,(H2,13,14,15);2*4-7H,1-3H3;2*4-6H,1-3H3;2*4-7H,1-3H3;4-8H,1-3H3
InChIKeySDNTXWMJOXNBOH-UHFFFAOYSA-N
MW2594.26 g/mol
LogP41.93
Rot. Bonds2

About tert-butylbenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;6-tert-butyl-3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;7-tert-butyl-3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;6-tert-butyl-1,8-naphthyridin-2-amine;7-tert-butyl-1,8-naphthyridin-2-amine;7-tert-butyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one;8-tert-butyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one

tert-butylbenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;6-tert-butyl-3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;7-tert-butyl-3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;6-tert-butyl-1,8-naphthyridin-2-amine;7-tert-butyl-1,8-naphthyridin-2-amine;7-tert-butyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one;8-tert-butyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one (PubChem CID 163956141) has the molecular formula C158H190Cl2F6N16O6 and a molecular weight of 2594.26 g/mol. Its IUPAC name is tert-butylbenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;6-tert-butyl-3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;7-tert-butyl-3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;6-tert-butyl-1,8-naphthyridin-2-amine;7-tert-butyl-1,8-naphthyridin-2-amine;7-tert-butyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one;8-tert-butyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one.

Molecular Properties

Compound Nametert-butylbenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;6-tert-butyl-3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;7-tert-butyl-3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;6-tert-butyl-1,8-naphthyridin-2-amine;7-tert-butyl-1,8-naphthyridin-2-amine;7-tert-butyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one;8-tert-butyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one
PubChem CID163956141
Molecular FormulaC158H190Cl2F6N16O6
Molecular Weight2594.26 g/mol
Exact Mass2591.43
IUPAC Nametert-butylbenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;6-tert-butyl-3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;7-tert-butyl-3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;6-tert-butyl-1,8-naphthyridin-2-amine;7-tert-butyl-1,8-naphthyridin-2-amine;7-tert-butyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one;8-tert-butyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one
SMILESCC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(F)cc1F.CC(C)(C)c1ccc2cc3c(nc2c1)NC(=O)CO3.CC(C)(C)c1ccc2ccc(N)nc2n1.CC(C)(C)c1ccc2nc3c(cc2c1)OCC(=O)N3.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccccc1.CC(C)(C)c1cnc2nc(N)ccc2c1.Cc1nocc1-c1cc2cc(C(C)(C)C)ccc2nc1N.Cc1nocc1-c1cc2ccc(C(C)(C)C)cc2nc1N
InChIInChI=1S/2C17H19N3O.2C15H16N2O2.2C12H15N3.2C10H13Cl.2C10H12F2.2C10H13F.C10H14/c1-10-14(9-21-20-10)13-8-11-7-12(17(2,3)4)5-6-15(11)19-16(13)18;1-10-14(9-21-20-10)13-7-11-5-6-12(17(2,3)4)8-15(11)19-16(13)18;1-15(2,3)10-4-5-11-9(6-10)7-12-14(16-11)17-13(18)8-19-12;1-15(2,3)10-5-4-9-6-12-14(16-11(9)7-10)17-13(18)8-19-12;1-12(2,3)9-6-4-8-5-7-10(13)15-11(8)14-9;1-12(2,3)9-6-8-4-5-10(13)15-11(8)14-7-9;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-5-4-7(11)6-9(8)12;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)9-7-5-4-6-8-9/h2*5-9H,1-4H3,(H2,18,19);2*4-7H,8H2,1-3H3,(H,16,17,18);2*4-7H,1-3H3,(H2,13,14,15);2*4-7H,1-3H3;2*4-6H,1-3H3;2*4-7H,1-3H3;4-8H,1-3H3
InChIKeySDNTXWMJOXNBOH-UHFFFAOYSA-N
XLogP41.93
TPSA335.92 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds2
Heavy Atoms188
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002594.26
LogP ≤ 541.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze tert-butylbenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;6-tert-butyl-3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;7-tert-butyl-3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;6-tert-butyl-1,8-naphthyridin-2-amine;7-tert-butyl-1,8-naphthyridin-2-amine;7-tert-butyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one;8-tert-butyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;6-tert-butyl-3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;7-tert-butyl-3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;6-tert-butyl-1,8-naphthyridin-2-amine;7-tert-butyl-1,8-naphthyridin-2-amine;7-tert-butyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one;8-tert-butyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one?
The IUPAC name of tert-butylbenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;6-tert-butyl-3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;7-tert-butyl-3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;6-tert-butyl-1,8-naphthyridin-2-amine;7-tert-butyl-1,8-naphthyridin-2-amine;7-tert-butyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one;8-tert-butyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one (CID 163956141) is tert-butylbenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;6-tert-butyl-3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;7-tert-butyl-3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;6-tert-butyl-1,8-naphthyridin-2-amine;7-tert-butyl-1,8-naphthyridin-2-amine;7-tert-butyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one;8-tert-butyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one.
What is the SMILES notation for tert-butylbenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;6-tert-butyl-3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;7-tert-butyl-3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;6-tert-butyl-1,8-naphthyridin-2-amine;7-tert-butyl-1,8-naphthyridin-2-amine;7-tert-butyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one;8-tert-butyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one?
The canonical SMILES for tert-butylbenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;6-tert-butyl-3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;7-tert-butyl-3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;6-tert-butyl-1,8-naphthyridin-2-amine;7-tert-butyl-1,8-naphthyridin-2-amine;7-tert-butyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one;8-tert-butyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one is CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(F)cc1F.CC(C)(C)c1ccc2cc3c(nc2c1)NC(=O)CO3.CC(C)(C)c1ccc2ccc(N)nc2n1.CC(C)(C)c1ccc2nc3c(cc2c1)OCC(=O)N3.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccccc1.CC(C)(C)c1cnc2nc(N)ccc2c1.Cc1nocc1-c1cc2cc(C(C)(C)C)ccc2nc1N.Cc1nocc1-c1cc2ccc(C(C)(C)C)cc2nc1N.
What is the InChIKey of tert-butylbenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;6-tert-butyl-3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;7-tert-butyl-3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;6-tert-butyl-1,8-naphthyridin-2-amine;7-tert-butyl-1,8-naphthyridin-2-amine;7-tert-butyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one;8-tert-butyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one?
The InChIKey is SDNTXWMJOXNBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H19N3O.2C15H16N2O2.2C12H15N3.2C10H13Cl.2C10H12F2.2C10H13F.C10H14/c1-10-14(9-21-20-10)13-8-11-7-12(17(2,3)4)5-6-15(11)19-16(13)18;1-10-14(9-21-20-10)13-7-11-5-6-12(17(2,3)4)8-15(11)19-16(13)18;1-15(2,3)10-4-5-11-9(6-10)7-12-14(16-11)17-13(18)8-19-12;1-15(2,3)10-5-4-9-6-12-14(16-11(9)7-10)17-13(18)8-19-12;1-12(2,3)9-6-4-8-5-7-10(13)15-11(8)14-9;1-12(2,3)9-6-8-4-5-10(13)15-11(8)14-7-9;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-5-4-7(11)6-9(8)12;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)9-7-5-4-6-8-9/h2*5-9H,1-4H3,(H2,18,19);2*4-7H,8H2,1-3H3,(H,16,17,18);2*4-7H,1-3H3,(H2,13,14,15);2*4-7H,1-3H3;2*4-6H,1-3H3;2*4-7H,1-3H3;4-8H,1-3H3.
What are the key properties of tert-butylbenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;6-tert-butyl-3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;7-tert-butyl-3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;6-tert-butyl-1,8-naphthyridin-2-amine;7-tert-butyl-1,8-naphthyridin-2-amine;7-tert-butyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one;8-tert-butyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one?
tert-butylbenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;6-tert-butyl-3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;7-tert-butyl-3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;6-tert-butyl-1,8-naphthyridin-2-amine;7-tert-butyl-1,8-naphthyridin-2-amine;7-tert-butyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one;8-tert-butyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one has a molecular weight of 2594.26 g/mol, XLogP of 41.93, 2 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;6-tert-butyl-3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;7-tert-butyl-3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;6-tert-butyl-1,8-naphthyridin-2-amine;7-tert-butyl-1,8-naphthyridin-2-amine;7-tert-butyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one;8-tert-butyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one is sourced from PubChem (CID 163956141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).