bis(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol;methoxymethane

C23H36N2O2 — CID 70542857

IUPACbis(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol;methoxymethane
SMILESCN1CCCC2CC(C(O)C3=CC=C4C(CCCN4C)C3)=CC=C21.COC
InChIInChI=1S/C21H30N2O.C2H6O/c1-22-11-3-5-15-13-17(7-9-19(15)22)21(24)18-8-10-20-16(14-18)6-4-12-23(20)2;1-3-2/h7-10,15-16,21,24H,3-6,11-14H2,1-2H3;1-2H3
InChIKeyDMMKHKCEIDWGJY-UHFFFAOYSA-N
MW372.55 g/mol
LogP3.72
Rot. Bonds2

About bis(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol;methoxymethane

bis(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol;methoxymethane (PubChem CID 70542857) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is bis(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol;methoxymethane.

Molecular Properties

Compound Namebis(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol;methoxymethane
PubChem CID70542857
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC Namebis(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol;methoxymethane
SMILESCN1CCCC2CC(C(O)C3=CC=C4C(CCCN4C)C3)=CC=C21.COC
InChIInChI=1S/C21H30N2O.C2H6O/c1-22-11-3-5-15-13-17(7-9-19(15)22)21(24)18-8-10-20-16(14-18)6-4-12-23(20)2;1-3-2/h7-10,15-16,21,24H,3-6,11-14H2,1-2H3;1-2H3
InChIKeyDMMKHKCEIDWGJY-UHFFFAOYSA-N
XLogP3.72
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol;methoxymethane?
The IUPAC name of bis(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol;methoxymethane (CID 70542857) is bis(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol;methoxymethane.
What is the SMILES notation for bis(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol;methoxymethane?
The canonical SMILES for bis(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol;methoxymethane is CN1CCCC2CC(C(O)C3=CC=C4C(CCCN4C)C3)=CC=C21.COC.
What is the InChIKey of bis(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol;methoxymethane?
The InChIKey is DMMKHKCEIDWGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O.C2H6O/c1-22-11-3-5-15-13-17(7-9-19(15)22)21(24)18-8-10-20-16(14-18)6-4-12-23(20)2;1-3-2/h7-10,15-16,21,24H,3-6,11-14H2,1-2H3;1-2H3.
What are the key properties of bis(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol;methoxymethane?
bis(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol;methoxymethane has a molecular weight of 372.55 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol;methoxymethane is sourced from PubChem (CID 70542857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).