4-chloro-6,8-dimethoxy-2,3-dimethylquinoline;4-[1-(6,8-dimethoxy-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine

C54H67ClN6O6 — CID 159186934

IUPAC4-chloro-6,8-dimethoxy-2,3-dimethylquinoline;4-[1-(6,8-dimethoxy-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine
SMILESCC1(C)CNc2cc(N3CCOCC3)ccc21.COc1cc(OC)c2nc(C)c(C)c(Cl)c2c1.COc1cc(OC)c2nc(C)c(C)c(N3CC(C)(C)c4ccc(N5CCOCC5)cc43)c2c1
InChIInChI=1S/C27H33N3O3.C14H20N2O.C13H14ClNO2/c1-17-18(2)28-25-21(14-20(31-5)15-24(25)32-6)26(17)30-16-27(3,4)22-8-7-19(13-23(22)30)29-9-11-33-12-10-29;1-14(2)10-15-13-9-11(3-4-12(13)14)16-5-7-17-8-6-16;1-7-8(2)15-13-10(12(7)14)5-9(16-3)6-11(13)17-4/h7-8,13-15H,9-12,16H2,1-6H3;3-4,9,15H,5-8,10H2,1-2H3;5-6H,1-4H3
InChIKeyKNPKNBCOBYCDTK-UHFFFAOYSA-N
MW931.62 g/mol
LogP10.88
Rot. Bonds7

About 4-chloro-6,8-dimethoxy-2,3-dimethylquinoline;4-[1-(6,8-dimethoxy-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine

4-chloro-6,8-dimethoxy-2,3-dimethylquinoline;4-[1-(6,8-dimethoxy-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine (PubChem CID 159186934) has the molecular formula C54H67ClN6O6 and a molecular weight of 931.62 g/mol. Its IUPAC name is 4-chloro-6,8-dimethoxy-2,3-dimethylquinoline;4-[1-(6,8-dimethoxy-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine.

Molecular Properties

Compound Name4-chloro-6,8-dimethoxy-2,3-dimethylquinoline;4-[1-(6,8-dimethoxy-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine
PubChem CID159186934
Molecular FormulaC54H67ClN6O6
Molecular Weight931.62 g/mol
Exact Mass930.48
IUPAC Name4-chloro-6,8-dimethoxy-2,3-dimethylquinoline;4-[1-(6,8-dimethoxy-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine
SMILESCC1(C)CNc2cc(N3CCOCC3)ccc21.COc1cc(OC)c2nc(C)c(C)c(Cl)c2c1.COc1cc(OC)c2nc(C)c(C)c(N3CC(C)(C)c4ccc(N5CCOCC5)cc43)c2c1
InChIInChI=1S/C27H33N3O3.C14H20N2O.C13H14ClNO2/c1-17-18(2)28-25-21(14-20(31-5)15-24(25)32-6)26(17)30-16-27(3,4)22-8-7-19(13-23(22)30)29-9-11-33-12-10-29;1-14(2)10-15-13-9-11(3-4-12(13)14)16-5-7-17-8-6-16;1-7-8(2)15-13-10(12(7)14)5-9(16-3)6-11(13)17-4/h7-8,13-15H,9-12,16H2,1-6H3;3-4,9,15H,5-8,10H2,1-2H3;5-6H,1-4H3
InChIKeyKNPKNBCOBYCDTK-UHFFFAOYSA-N
XLogP10.88
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500931.62
LogP ≤ 510.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 4-chloro-6,8-dimethoxy-2,3-dimethylquinoline;4-[1-(6,8-dimethoxy-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,8-dimethoxy-2,3-dimethylquinoline;4-[1-(6,8-dimethoxy-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine?
The IUPAC name of 4-chloro-6,8-dimethoxy-2,3-dimethylquinoline;4-[1-(6,8-dimethoxy-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine (CID 159186934) is 4-chloro-6,8-dimethoxy-2,3-dimethylquinoline;4-[1-(6,8-dimethoxy-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine.
What is the SMILES notation for 4-chloro-6,8-dimethoxy-2,3-dimethylquinoline;4-[1-(6,8-dimethoxy-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine?
The canonical SMILES for 4-chloro-6,8-dimethoxy-2,3-dimethylquinoline;4-[1-(6,8-dimethoxy-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine is CC1(C)CNc2cc(N3CCOCC3)ccc21.COc1cc(OC)c2nc(C)c(C)c(Cl)c2c1.COc1cc(OC)c2nc(C)c(C)c(N3CC(C)(C)c4ccc(N5CCOCC5)cc43)c2c1.
What is the InChIKey of 4-chloro-6,8-dimethoxy-2,3-dimethylquinoline;4-[1-(6,8-dimethoxy-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine?
The InChIKey is KNPKNBCOBYCDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3.C14H20N2O.C13H14ClNO2/c1-17-18(2)28-25-21(14-20(31-5)15-24(25)32-6)26(17)30-16-27(3,4)22-8-7-19(13-23(22)30)29-9-11-33-12-10-29;1-14(2)10-15-13-9-11(3-4-12(13)14)16-5-7-17-8-6-16;1-7-8(2)15-13-10(12(7)14)5-9(16-3)6-11(13)17-4/h7-8,13-15H,9-12,16H2,1-6H3;3-4,9,15H,5-8,10H2,1-2H3;5-6H,1-4H3.
What are the key properties of 4-chloro-6,8-dimethoxy-2,3-dimethylquinoline;4-[1-(6,8-dimethoxy-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine?
4-chloro-6,8-dimethoxy-2,3-dimethylquinoline;4-[1-(6,8-dimethoxy-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine has a molecular weight of 931.62 g/mol, XLogP of 10.88, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,8-dimethoxy-2,3-dimethylquinoline;4-[1-(6,8-dimethoxy-2,3-dimethylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine is sourced from PubChem (CID 159186934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).