2,6-dimethyl-4-propan-2-ylquinoline;6-ethyl-4-propan-2-yl-N-propylquinoline-8-carboxamide;8-methoxy-2,6-dimethyl-4-propan-2-ylquinoline;8-methoxy-6-methyl-4-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline

C74H92N6O3 — CID 167712169

IUPAC2,6-dimethyl-4-propan-2-ylquinoline;6-ethyl-4-propan-2-yl-N-propylquinoline-8-carboxamide;8-methoxy-2,6-dimethyl-4-propan-2-ylquinoline;8-methoxy-6-methyl-4-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline
SMILESCCCNC(=O)c1cc(CC)cc2c(C(C)C)ccnc12.COc1cc(C)cc2c(C(C)C)cc(C)nc12.COc1cc(C)cc2c(C(C)C)ccnc12.Cc1ccc2nc(C)cc(C(C)C)c2c1.Cc1cnc2cccc(C(C)C)c2c1
InChIInChI=1S/C18H24N2O.C15H19NO.C14H17NO.C14H17N.C13H15N/c1-5-8-20-18(21)16-11-13(6-2)10-15-14(12(3)4)7-9-19-17(15)16;1-9(2)12-8-11(4)16-15-13(12)6-10(3)7-14(15)17-5;1-9(2)11-5-6-15-14-12(11)7-10(3)8-13(14)16-4;1-9(2)12-8-11(4)15-14-6-5-10(3)7-13(12)14;1-9(2)11-5-4-6-13-12(11)7-10(3)8-14-13/h7,9-12H,5-6,8H2,1-4H3,(H,20,21);6-9H,1-5H3;5-9H,1-4H3;5-9H,1-4H3;4-9H,1-3H3
InChIKeyZZXDMUASIMWALN-UHFFFAOYSA-N
MW1113.59 g/mol
LogP19.36
Rot. Bonds11

About 2,6-dimethyl-4-propan-2-ylquinoline;6-ethyl-4-propan-2-yl-N-propylquinoline-8-carboxamide;8-methoxy-2,6-dimethyl-4-propan-2-ylquinoline;8-methoxy-6-methyl-4-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline

2,6-dimethyl-4-propan-2-ylquinoline;6-ethyl-4-propan-2-yl-N-propylquinoline-8-carboxamide;8-methoxy-2,6-dimethyl-4-propan-2-ylquinoline;8-methoxy-6-methyl-4-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline (PubChem CID 167712169) has the molecular formula C74H92N6O3 and a molecular weight of 1113.59 g/mol. Its IUPAC name is 2,6-dimethyl-4-propan-2-ylquinoline;6-ethyl-4-propan-2-yl-N-propylquinoline-8-carboxamide;8-methoxy-2,6-dimethyl-4-propan-2-ylquinoline;8-methoxy-6-methyl-4-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline.

Molecular Properties

Compound Name2,6-dimethyl-4-propan-2-ylquinoline;6-ethyl-4-propan-2-yl-N-propylquinoline-8-carboxamide;8-methoxy-2,6-dimethyl-4-propan-2-ylquinoline;8-methoxy-6-methyl-4-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline
PubChem CID167712169
Molecular FormulaC74H92N6O3
Molecular Weight1113.59 g/mol
Exact Mass1112.72
IUPAC Name2,6-dimethyl-4-propan-2-ylquinoline;6-ethyl-4-propan-2-yl-N-propylquinoline-8-carboxamide;8-methoxy-2,6-dimethyl-4-propan-2-ylquinoline;8-methoxy-6-methyl-4-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline
SMILESCCCNC(=O)c1cc(CC)cc2c(C(C)C)ccnc12.COc1cc(C)cc2c(C(C)C)cc(C)nc12.COc1cc(C)cc2c(C(C)C)ccnc12.Cc1ccc2nc(C)cc(C(C)C)c2c1.Cc1cnc2cccc(C(C)C)c2c1
InChIInChI=1S/C18H24N2O.C15H19NO.C14H17NO.C14H17N.C13H15N/c1-5-8-20-18(21)16-11-13(6-2)10-15-14(12(3)4)7-9-19-17(15)16;1-9(2)12-8-11(4)16-15-13(12)6-10(3)7-14(15)17-5;1-9(2)11-5-6-15-14-12(11)7-10(3)8-13(14)16-4;1-9(2)12-8-11(4)15-14-6-5-10(3)7-13(12)14;1-9(2)11-5-4-6-13-12(11)7-10(3)8-14-13/h7,9-12H,5-6,8H2,1-4H3,(H,20,21);6-9H,1-5H3;5-9H,1-4H3;5-9H,1-4H3;4-9H,1-3H3
InChIKeyZZXDMUASIMWALN-UHFFFAOYSA-N
XLogP19.36
TPSA112.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001113.59
LogP ≤ 519.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2,6-dimethyl-4-propan-2-ylquinoline;6-ethyl-4-propan-2-yl-N-propylquinoline-8-carboxamide;8-methoxy-2,6-dimethyl-4-propan-2-ylquinoline;8-methoxy-6-methyl-4-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-propan-2-ylquinoline;6-ethyl-4-propan-2-yl-N-propylquinoline-8-carboxamide;8-methoxy-2,6-dimethyl-4-propan-2-ylquinoline;8-methoxy-6-methyl-4-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline?
The IUPAC name of 2,6-dimethyl-4-propan-2-ylquinoline;6-ethyl-4-propan-2-yl-N-propylquinoline-8-carboxamide;8-methoxy-2,6-dimethyl-4-propan-2-ylquinoline;8-methoxy-6-methyl-4-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline (CID 167712169) is 2,6-dimethyl-4-propan-2-ylquinoline;6-ethyl-4-propan-2-yl-N-propylquinoline-8-carboxamide;8-methoxy-2,6-dimethyl-4-propan-2-ylquinoline;8-methoxy-6-methyl-4-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline.
What is the SMILES notation for 2,6-dimethyl-4-propan-2-ylquinoline;6-ethyl-4-propan-2-yl-N-propylquinoline-8-carboxamide;8-methoxy-2,6-dimethyl-4-propan-2-ylquinoline;8-methoxy-6-methyl-4-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline?
The canonical SMILES for 2,6-dimethyl-4-propan-2-ylquinoline;6-ethyl-4-propan-2-yl-N-propylquinoline-8-carboxamide;8-methoxy-2,6-dimethyl-4-propan-2-ylquinoline;8-methoxy-6-methyl-4-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline is CCCNC(=O)c1cc(CC)cc2c(C(C)C)ccnc12.COc1cc(C)cc2c(C(C)C)cc(C)nc12.COc1cc(C)cc2c(C(C)C)ccnc12.Cc1ccc2nc(C)cc(C(C)C)c2c1.Cc1cnc2cccc(C(C)C)c2c1.
What is the InChIKey of 2,6-dimethyl-4-propan-2-ylquinoline;6-ethyl-4-propan-2-yl-N-propylquinoline-8-carboxamide;8-methoxy-2,6-dimethyl-4-propan-2-ylquinoline;8-methoxy-6-methyl-4-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline?
The InChIKey is ZZXDMUASIMWALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O.C15H19NO.C14H17NO.C14H17N.C13H15N/c1-5-8-20-18(21)16-11-13(6-2)10-15-14(12(3)4)7-9-19-17(15)16;1-9(2)12-8-11(4)16-15-13(12)6-10(3)7-14(15)17-5;1-9(2)11-5-6-15-14-12(11)7-10(3)8-13(14)16-4;1-9(2)12-8-11(4)15-14-6-5-10(3)7-13(12)14;1-9(2)11-5-4-6-13-12(11)7-10(3)8-14-13/h7,9-12H,5-6,8H2,1-4H3,(H,20,21);6-9H,1-5H3;5-9H,1-4H3;5-9H,1-4H3;4-9H,1-3H3.
What are the key properties of 2,6-dimethyl-4-propan-2-ylquinoline;6-ethyl-4-propan-2-yl-N-propylquinoline-8-carboxamide;8-methoxy-2,6-dimethyl-4-propan-2-ylquinoline;8-methoxy-6-methyl-4-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline?
2,6-dimethyl-4-propan-2-ylquinoline;6-ethyl-4-propan-2-yl-N-propylquinoline-8-carboxamide;8-methoxy-2,6-dimethyl-4-propan-2-ylquinoline;8-methoxy-6-methyl-4-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline has a molecular weight of 1113.59 g/mol, XLogP of 19.36, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-propan-2-ylquinoline;6-ethyl-4-propan-2-yl-N-propylquinoline-8-carboxamide;8-methoxy-2,6-dimethyl-4-propan-2-ylquinoline;8-methoxy-6-methyl-4-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline is sourced from PubChem (CID 167712169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).