8-bromo-2-ethoxy-7-methoxy-4-propan-2-ylquinoline;8-bromo-2-ethoxy-4-propan-2-ylquinoline;8-chloro-2-ethoxy-4-propan-2-ylquinoline;2-ethoxy-8-fluoro-4-propan-2-ylquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-ylquinoline;2-ethoxy-7-methoxy-8-methylsulfanyl-4-propan-2-ylquinoline;2-ethoxy-8-methyl-4-propan-2-ylquinoline;2-ethoxy-8-methylsulfanyl-4-propan-2-ylquinoline;8-methoxy-4-propan-2-yl-2-propylquinoline

C135H167Br2ClFN9O12S2 — CID 157178134

IUPAC8-bromo-2-ethoxy-7-methoxy-4-propan-2-ylquinoline;8-bromo-2-ethoxy-4-propan-2-ylquinoline;8-chloro-2-ethoxy-4-propan-2-ylquinoline;2-ethoxy-8-fluoro-4-propan-2-ylquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-ylquinoline;2-ethoxy-7-methoxy-8-methylsulfanyl-4-propan-2-ylquinoline;2-ethoxy-8-methyl-4-propan-2-ylquinoline;2-ethoxy-8-methylsulfanyl-4-propan-2-ylquinoline;8-methoxy-4-propan-2-yl-2-propylquinoline
SMILESCCCc1cc(C(C)C)c2cccc(OC)c2n1.CCOc1cc(C(C)C)c2ccc(OC)c(Br)c2n1.CCOc1cc(C(C)C)c2ccc(OC)c(C)c2n1.CCOc1cc(C(C)C)c2ccc(OC)c(SC)c2n1.CCOc1cc(C(C)C)c2cccc(Br)c2n1.CCOc1cc(C(C)C)c2cccc(C)c2n1.CCOc1cc(C(C)C)c2cccc(Cl)c2n1.CCOc1cc(C(C)C)c2cccc(F)c2n1.CCOc1cc(C(C)C)c2cccc(SC)c2n1
InChIInChI=1S/C16H21NO2S.C16H21NO2.C16H21NO.C15H18BrNO2.C15H19NOS.C15H19NO.C14H16BrNO.C14H16ClNO.C14H16FNO/c1-6-19-14-9-12(10(2)3)11-7-8-13(18-4)16(20-5)15(11)17-14;1-6-19-15-9-13(10(2)3)12-7-8-14(18-5)11(4)16(12)17-15;1-5-7-12-10-14(11(2)3)13-8-6-9-15(18-4)16(13)17-12;1-5-19-13-8-11(9(2)3)10-6-7-12(18-4)14(16)15(10)17-13;1-5-17-14-9-12(10(2)3)11-7-6-8-13(18-4)15(11)16-14;1-5-17-14-9-13(10(2)3)12-8-6-7-11(4)15(12)16-14;3*1-4-17-13-8-11(9(2)3)10-6-5-7-12(15)14(10)16-13/h7-10H,6H2,1-5H3;7-10H,6H2,1-5H3;6,8-11H,5,7H2,1-4H3;6-9H,5H2,1-4H3;6-10H,5H2,1-4H3;6-10H,5H2,1-4H3;3*5-9H,4H2,1-3H3
InChIKeyAOGIYSVUTARCBD-UHFFFAOYSA-N
MW2386.26 g/mol
LogP38.78
Rot. Bonds33

About 8-bromo-2-ethoxy-7-methoxy-4-propan-2-ylquinoline;8-bromo-2-ethoxy-4-propan-2-ylquinoline;8-chloro-2-ethoxy-4-propan-2-ylquinoline;2-ethoxy-8-fluoro-4-propan-2-ylquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-ylquinoline;2-ethoxy-7-methoxy-8-methylsulfanyl-4-propan-2-ylquinoline;2-ethoxy-8-methyl-4-propan-2-ylquinoline;2-ethoxy-8-methylsulfanyl-4-propan-2-ylquinoline;8-methoxy-4-propan-2-yl-2-propylquinoline

8-bromo-2-ethoxy-7-methoxy-4-propan-2-ylquinoline;8-bromo-2-ethoxy-4-propan-2-ylquinoline;8-chloro-2-ethoxy-4-propan-2-ylquinoline;2-ethoxy-8-fluoro-4-propan-2-ylquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-ylquinoline;2-ethoxy-7-methoxy-8-methylsulfanyl-4-propan-2-ylquinoline;2-ethoxy-8-methyl-4-propan-2-ylquinoline;2-ethoxy-8-methylsulfanyl-4-propan-2-ylquinoline;8-methoxy-4-propan-2-yl-2-propylquinoline (PubChem CID 157178134) has the molecular formula C135H167Br2ClFN9O12S2 and a molecular weight of 2386.26 g/mol. Its IUPAC name is 8-bromo-2-ethoxy-7-methoxy-4-propan-2-ylquinoline;8-bromo-2-ethoxy-4-propan-2-ylquinoline;8-chloro-2-ethoxy-4-propan-2-ylquinoline;2-ethoxy-8-fluoro-4-propan-2-ylquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-ylquinoline;2-ethoxy-7-methoxy-8-methylsulfanyl-4-propan-2-ylquinoline;2-ethoxy-8-methyl-4-propan-2-ylquinoline;2-ethoxy-8-methylsulfanyl-4-propan-2-ylquinoline;8-methoxy-4-propan-2-yl-2-propylquinoline.

Molecular Properties

Compound Name8-bromo-2-ethoxy-7-methoxy-4-propan-2-ylquinoline;8-bromo-2-ethoxy-4-propan-2-ylquinoline;8-chloro-2-ethoxy-4-propan-2-ylquinoline;2-ethoxy-8-fluoro-4-propan-2-ylquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-ylquinoline;2-ethoxy-7-methoxy-8-methylsulfanyl-4-propan-2-ylquinoline;2-ethoxy-8-methyl-4-propan-2-ylquinoline;2-ethoxy-8-methylsulfanyl-4-propan-2-ylquinoline;8-methoxy-4-propan-2-yl-2-propylquinoline
PubChem CID157178134
Molecular FormulaC135H167Br2ClFN9O12S2
Molecular Weight2386.26 g/mol
Exact Mass2382.02
IUPAC Name8-bromo-2-ethoxy-7-methoxy-4-propan-2-ylquinoline;8-bromo-2-ethoxy-4-propan-2-ylquinoline;8-chloro-2-ethoxy-4-propan-2-ylquinoline;2-ethoxy-8-fluoro-4-propan-2-ylquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-ylquinoline;2-ethoxy-7-methoxy-8-methylsulfanyl-4-propan-2-ylquinoline;2-ethoxy-8-methyl-4-propan-2-ylquinoline;2-ethoxy-8-methylsulfanyl-4-propan-2-ylquinoline;8-methoxy-4-propan-2-yl-2-propylquinoline
SMILESCCCc1cc(C(C)C)c2cccc(OC)c2n1.CCOc1cc(C(C)C)c2ccc(OC)c(Br)c2n1.CCOc1cc(C(C)C)c2ccc(OC)c(C)c2n1.CCOc1cc(C(C)C)c2ccc(OC)c(SC)c2n1.CCOc1cc(C(C)C)c2cccc(Br)c2n1.CCOc1cc(C(C)C)c2cccc(C)c2n1.CCOc1cc(C(C)C)c2cccc(Cl)c2n1.CCOc1cc(C(C)C)c2cccc(F)c2n1.CCOc1cc(C(C)C)c2cccc(SC)c2n1
InChIInChI=1S/C16H21NO2S.C16H21NO2.C16H21NO.C15H18BrNO2.C15H19NOS.C15H19NO.C14H16BrNO.C14H16ClNO.C14H16FNO/c1-6-19-14-9-12(10(2)3)11-7-8-13(18-4)16(20-5)15(11)17-14;1-6-19-15-9-13(10(2)3)12-7-8-14(18-5)11(4)16(12)17-15;1-5-7-12-10-14(11(2)3)13-8-6-9-15(18-4)16(13)17-12;1-5-19-13-8-11(9(2)3)10-6-7-12(18-4)14(16)15(10)17-13;1-5-17-14-9-12(10(2)3)11-7-6-8-13(18-4)15(11)16-14;1-5-17-14-9-13(10(2)3)12-8-6-7-11(4)15(12)16-14;3*1-4-17-13-8-11(9(2)3)10-6-5-7-12(15)14(10)16-13/h7-10H,6H2,1-5H3;7-10H,6H2,1-5H3;6,8-11H,5,7H2,1-4H3;6-9H,5H2,1-4H3;6-10H,5H2,1-4H3;6-10H,5H2,1-4H3;3*5-9H,4H2,1-3H3
InChIKeyAOGIYSVUTARCBD-UHFFFAOYSA-N
XLogP38.78
TPSA226.77 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds33
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002386.26
LogP ≤ 538.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 8-bromo-2-ethoxy-7-methoxy-4-propan-2-ylquinoline;8-bromo-2-ethoxy-4-propan-2-ylquinoline;8-chloro-2-ethoxy-4-propan-2-ylquinoline;2-ethoxy-8-fluoro-4-propan-2-ylquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-ylquinoline;2-ethoxy-7-methoxy-8-methylsulfanyl-4-propan-2-ylquinoline;2-ethoxy-8-methyl-4-propan-2-ylquinoline;2-ethoxy-8-methylsulfanyl-4-propan-2-ylquinoline;8-methoxy-4-propan-2-yl-2-propylquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-ethoxy-7-methoxy-4-propan-2-ylquinoline;8-bromo-2-ethoxy-4-propan-2-ylquinoline;8-chloro-2-ethoxy-4-propan-2-ylquinoline;2-ethoxy-8-fluoro-4-propan-2-ylquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-ylquinoline;2-ethoxy-7-methoxy-8-methylsulfanyl-4-propan-2-ylquinoline;2-ethoxy-8-methyl-4-propan-2-ylquinoline;2-ethoxy-8-methylsulfanyl-4-propan-2-ylquinoline;8-methoxy-4-propan-2-yl-2-propylquinoline?
The IUPAC name of 8-bromo-2-ethoxy-7-methoxy-4-propan-2-ylquinoline;8-bromo-2-ethoxy-4-propan-2-ylquinoline;8-chloro-2-ethoxy-4-propan-2-ylquinoline;2-ethoxy-8-fluoro-4-propan-2-ylquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-ylquinoline;2-ethoxy-7-methoxy-8-methylsulfanyl-4-propan-2-ylquinoline;2-ethoxy-8-methyl-4-propan-2-ylquinoline;2-ethoxy-8-methylsulfanyl-4-propan-2-ylquinoline;8-methoxy-4-propan-2-yl-2-propylquinoline (CID 157178134) is 8-bromo-2-ethoxy-7-methoxy-4-propan-2-ylquinoline;8-bromo-2-ethoxy-4-propan-2-ylquinoline;8-chloro-2-ethoxy-4-propan-2-ylquinoline;2-ethoxy-8-fluoro-4-propan-2-ylquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-ylquinoline;2-ethoxy-7-methoxy-8-methylsulfanyl-4-propan-2-ylquinoline;2-ethoxy-8-methyl-4-propan-2-ylquinoline;2-ethoxy-8-methylsulfanyl-4-propan-2-ylquinoline;8-methoxy-4-propan-2-yl-2-propylquinoline.
What is the SMILES notation for 8-bromo-2-ethoxy-7-methoxy-4-propan-2-ylquinoline;8-bromo-2-ethoxy-4-propan-2-ylquinoline;8-chloro-2-ethoxy-4-propan-2-ylquinoline;2-ethoxy-8-fluoro-4-propan-2-ylquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-ylquinoline;2-ethoxy-7-methoxy-8-methylsulfanyl-4-propan-2-ylquinoline;2-ethoxy-8-methyl-4-propan-2-ylquinoline;2-ethoxy-8-methylsulfanyl-4-propan-2-ylquinoline;8-methoxy-4-propan-2-yl-2-propylquinoline?
The canonical SMILES for 8-bromo-2-ethoxy-7-methoxy-4-propan-2-ylquinoline;8-bromo-2-ethoxy-4-propan-2-ylquinoline;8-chloro-2-ethoxy-4-propan-2-ylquinoline;2-ethoxy-8-fluoro-4-propan-2-ylquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-ylquinoline;2-ethoxy-7-methoxy-8-methylsulfanyl-4-propan-2-ylquinoline;2-ethoxy-8-methyl-4-propan-2-ylquinoline;2-ethoxy-8-methylsulfanyl-4-propan-2-ylquinoline;8-methoxy-4-propan-2-yl-2-propylquinoline is CCCc1cc(C(C)C)c2cccc(OC)c2n1.CCOc1cc(C(C)C)c2ccc(OC)c(Br)c2n1.CCOc1cc(C(C)C)c2ccc(OC)c(C)c2n1.CCOc1cc(C(C)C)c2ccc(OC)c(SC)c2n1.CCOc1cc(C(C)C)c2cccc(Br)c2n1.CCOc1cc(C(C)C)c2cccc(C)c2n1.CCOc1cc(C(C)C)c2cccc(Cl)c2n1.CCOc1cc(C(C)C)c2cccc(F)c2n1.CCOc1cc(C(C)C)c2cccc(SC)c2n1.
What is the InChIKey of 8-bromo-2-ethoxy-7-methoxy-4-propan-2-ylquinoline;8-bromo-2-ethoxy-4-propan-2-ylquinoline;8-chloro-2-ethoxy-4-propan-2-ylquinoline;2-ethoxy-8-fluoro-4-propan-2-ylquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-ylquinoline;2-ethoxy-7-methoxy-8-methylsulfanyl-4-propan-2-ylquinoline;2-ethoxy-8-methyl-4-propan-2-ylquinoline;2-ethoxy-8-methylsulfanyl-4-propan-2-ylquinoline;8-methoxy-4-propan-2-yl-2-propylquinoline?
The InChIKey is AOGIYSVUTARCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S.C16H21NO2.C16H21NO.C15H18BrNO2.C15H19NOS.C15H19NO.C14H16BrNO.C14H16ClNO.C14H16FNO/c1-6-19-14-9-12(10(2)3)11-7-8-13(18-4)16(20-5)15(11)17-14;1-6-19-15-9-13(10(2)3)12-7-8-14(18-5)11(4)16(12)17-15;1-5-7-12-10-14(11(2)3)13-8-6-9-15(18-4)16(13)17-12;1-5-19-13-8-11(9(2)3)10-6-7-12(18-4)14(16)15(10)17-13;1-5-17-14-9-12(10(2)3)11-7-6-8-13(18-4)15(11)16-14;1-5-17-14-9-13(10(2)3)12-8-6-7-11(4)15(12)16-14;3*1-4-17-13-8-11(9(2)3)10-6-5-7-12(15)14(10)16-13/h7-10H,6H2,1-5H3;7-10H,6H2,1-5H3;6,8-11H,5,7H2,1-4H3;6-9H,5H2,1-4H3;6-10H,5H2,1-4H3;6-10H,5H2,1-4H3;3*5-9H,4H2,1-3H3.
What are the key properties of 8-bromo-2-ethoxy-7-methoxy-4-propan-2-ylquinoline;8-bromo-2-ethoxy-4-propan-2-ylquinoline;8-chloro-2-ethoxy-4-propan-2-ylquinoline;2-ethoxy-8-fluoro-4-propan-2-ylquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-ylquinoline;2-ethoxy-7-methoxy-8-methylsulfanyl-4-propan-2-ylquinoline;2-ethoxy-8-methyl-4-propan-2-ylquinoline;2-ethoxy-8-methylsulfanyl-4-propan-2-ylquinoline;8-methoxy-4-propan-2-yl-2-propylquinoline?
8-bromo-2-ethoxy-7-methoxy-4-propan-2-ylquinoline;8-bromo-2-ethoxy-4-propan-2-ylquinoline;8-chloro-2-ethoxy-4-propan-2-ylquinoline;2-ethoxy-8-fluoro-4-propan-2-ylquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-ylquinoline;2-ethoxy-7-methoxy-8-methylsulfanyl-4-propan-2-ylquinoline;2-ethoxy-8-methyl-4-propan-2-ylquinoline;2-ethoxy-8-methylsulfanyl-4-propan-2-ylquinoline;8-methoxy-4-propan-2-yl-2-propylquinoline has a molecular weight of 2386.26 g/mol, XLogP of 38.78, 33 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-ethoxy-7-methoxy-4-propan-2-ylquinoline;8-bromo-2-ethoxy-4-propan-2-ylquinoline;8-chloro-2-ethoxy-4-propan-2-ylquinoline;2-ethoxy-8-fluoro-4-propan-2-ylquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-ylquinoline;2-ethoxy-7-methoxy-8-methylsulfanyl-4-propan-2-ylquinoline;2-ethoxy-8-methyl-4-propan-2-ylquinoline;2-ethoxy-8-methylsulfanyl-4-propan-2-ylquinoline;8-methoxy-4-propan-2-yl-2-propylquinoline is sourced from PubChem (CID 157178134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).