1,5-dimethoxy-7-propan-2-ylisoquinoline;8-methoxy-6-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoxaline;6-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine

C109H138N10O11 — CID 158070703

IUPAC1,5-dimethoxy-7-propan-2-ylisoquinoline;8-methoxy-6-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoxaline;6-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine
SMILESCC(C)c1ccc(N2CCOCC2)cc1.CC(C)c1ccc2c(c1)C(=O)OC2.CC(C)c1ccc2c(c1)NC(=O)CN2.CC(C)c1ccc2c(c1)NCC(=O)N2.CC(C)c1ccc2c(c1)OCC2.CC(C)c1cccc(N2CCOCC2)c1.COc1cc(C(C)C)cc2c(OC)nccc12.COc1cc(C(C)C)cc2cccnc12.COc1cc(C(C)C)cc2nccnc12
InChIInChI=1S/C14H17NO2.C13H15NO.2C13H19NO.C12H14N2O.2C11H14N2O.C11H12O2.C11H14O/c1-9(2)10-7-12-11(13(8-10)16-3)5-6-15-14(12)17-4;1-9(2)11-7-10-5-4-6-14-13(10)12(8-11)15-3;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-8(2)9-6-10-12(11(7-9)15-3)14-5-4-13-10;1-7(2)8-3-4-9-10(5-8)12-6-11(14)13-9;1-7(2)8-3-4-9-10(5-8)13-11(14)6-12-9;1-7(2)8-3-4-9-6-13-11(12)10(9)5-8;1-8(2)10-4-3-9-5-6-12-11(9)7-10/h5-9H,1-4H3;4-9H,1-3H3;3-6,11H,7-10H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;4-8H,1-3H3;2*3-5,7,12H,6H2,1-2H3,(H,13,14);3-5,7H,6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3
InChIKeyFLUCLLVPPLVGTK-UHFFFAOYSA-N
MW1764.36 g/mol
LogP24.37
Rot. Bonds15

About 1,5-dimethoxy-7-propan-2-ylisoquinoline;8-methoxy-6-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoxaline;6-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine

1,5-dimethoxy-7-propan-2-ylisoquinoline;8-methoxy-6-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoxaline;6-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine (PubChem CID 158070703) has the molecular formula C109H138N10O11 and a molecular weight of 1764.36 g/mol. Its IUPAC name is 1,5-dimethoxy-7-propan-2-ylisoquinoline;8-methoxy-6-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoxaline;6-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine.

Molecular Properties

Compound Name1,5-dimethoxy-7-propan-2-ylisoquinoline;8-methoxy-6-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoxaline;6-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine
PubChem CID158070703
Molecular FormulaC109H138N10O11
Molecular Weight1764.36 g/mol
Exact Mass1763.05
IUPAC Name1,5-dimethoxy-7-propan-2-ylisoquinoline;8-methoxy-6-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoxaline;6-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine
SMILESCC(C)c1ccc(N2CCOCC2)cc1.CC(C)c1ccc2c(c1)C(=O)OC2.CC(C)c1ccc2c(c1)NC(=O)CN2.CC(C)c1ccc2c(c1)NCC(=O)N2.CC(C)c1ccc2c(c1)OCC2.CC(C)c1cccc(N2CCOCC2)c1.COc1cc(C(C)C)cc2c(OC)nccc12.COc1cc(C(C)C)cc2cccnc12.COc1cc(C(C)C)cc2nccnc12
InChIInChI=1S/C14H17NO2.C13H15NO.2C13H19NO.C12H14N2O.2C11H14N2O.C11H12O2.C11H14O/c1-9(2)10-7-12-11(13(8-10)16-3)5-6-15-14(12)17-4;1-9(2)11-7-10-5-4-6-14-13(10)12(8-11)15-3;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-8(2)9-6-10-12(11(7-9)15-3)14-5-4-13-10;1-7(2)8-3-4-9-10(5-8)12-6-11(14)13-9;1-7(2)8-3-4-9-10(5-8)13-11(14)6-12-9;1-7(2)8-3-4-9-6-13-11(12)10(9)5-8;1-8(2)10-4-3-9-5-6-12-11(9)7-10/h5-9H,1-4H3;4-9H,1-3H3;3-6,11H,7-10H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;4-8H,1-3H3;2*3-5,7,12H,6H2,1-2H3,(H,13,14);3-5,7H,6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3
InChIKeyFLUCLLVPPLVGTK-UHFFFAOYSA-N
XLogP24.37
TPSA231.21 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001764.36
LogP ≤ 524.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1,5-dimethoxy-7-propan-2-ylisoquinoline;8-methoxy-6-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoxaline;6-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethoxy-7-propan-2-ylisoquinoline;8-methoxy-6-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoxaline;6-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine?
The IUPAC name of 1,5-dimethoxy-7-propan-2-ylisoquinoline;8-methoxy-6-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoxaline;6-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine (CID 158070703) is 1,5-dimethoxy-7-propan-2-ylisoquinoline;8-methoxy-6-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoxaline;6-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine.
What is the SMILES notation for 1,5-dimethoxy-7-propan-2-ylisoquinoline;8-methoxy-6-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoxaline;6-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine?
The canonical SMILES for 1,5-dimethoxy-7-propan-2-ylisoquinoline;8-methoxy-6-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoxaline;6-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine is CC(C)c1ccc(N2CCOCC2)cc1.CC(C)c1ccc2c(c1)C(=O)OC2.CC(C)c1ccc2c(c1)NC(=O)CN2.CC(C)c1ccc2c(c1)NCC(=O)N2.CC(C)c1ccc2c(c1)OCC2.CC(C)c1cccc(N2CCOCC2)c1.COc1cc(C(C)C)cc2c(OC)nccc12.COc1cc(C(C)C)cc2cccnc12.COc1cc(C(C)C)cc2nccnc12.
What is the InChIKey of 1,5-dimethoxy-7-propan-2-ylisoquinoline;8-methoxy-6-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoxaline;6-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine?
The InChIKey is FLUCLLVPPLVGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2.C13H15NO.2C13H19NO.C12H14N2O.2C11H14N2O.C11H12O2.C11H14O/c1-9(2)10-7-12-11(13(8-10)16-3)5-6-15-14(12)17-4;1-9(2)11-7-10-5-4-6-14-13(10)12(8-11)15-3;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-8(2)9-6-10-12(11(7-9)15-3)14-5-4-13-10;1-7(2)8-3-4-9-10(5-8)12-6-11(14)13-9;1-7(2)8-3-4-9-10(5-8)13-11(14)6-12-9;1-7(2)8-3-4-9-6-13-11(12)10(9)5-8;1-8(2)10-4-3-9-5-6-12-11(9)7-10/h5-9H,1-4H3;4-9H,1-3H3;3-6,11H,7-10H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;4-8H,1-3H3;2*3-5,7,12H,6H2,1-2H3,(H,13,14);3-5,7H,6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 1,5-dimethoxy-7-propan-2-ylisoquinoline;8-methoxy-6-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoxaline;6-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine?
1,5-dimethoxy-7-propan-2-ylisoquinoline;8-methoxy-6-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoxaline;6-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine has a molecular weight of 1764.36 g/mol, XLogP of 24.37, 15 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethoxy-7-propan-2-ylisoquinoline;8-methoxy-6-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoxaline;6-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine is sourced from PubChem (CID 158070703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).