(1,2,3-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl)methanol

C20H23NO4 — CID 163143797

IUPAC(1,2,3-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl)methanol
SMILESCOc1c2c3c(c(OC)c1OC)-c1ccccc1CC3N(CO)CC2
InChIInChI=1S/C20H23NO4/c1-23-18-14-8-9-21(11-22)15-10-12-6-4-5-7-13(12)17(16(14)15)19(24-2)20(18)25-3/h4-7,15,22H,8-11H2,1-3H3
InChIKeyWZEJMXCKRPKRJE-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.78
Rot. Bonds4

About (1,2,3-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl)methanol

(1,2,3-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl)methanol (PubChem CID 163143797) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is (1,2,3-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl)methanol.

Molecular Properties

Compound Name(1,2,3-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl)methanol
PubChem CID163143797
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name(1,2,3-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl)methanol
SMILESCOc1c2c3c(c(OC)c1OC)-c1ccccc1CC3N(CO)CC2
InChIInChI=1S/C20H23NO4/c1-23-18-14-8-9-21(11-22)15-10-12-6-4-5-7-13(12)17(16(14)15)19(24-2)20(18)25-3/h4-7,15,22H,8-11H2,1-3H3
InChIKeyWZEJMXCKRPKRJE-UHFFFAOYSA-N
XLogP2.78
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1,2,3-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl)methanol?
The IUPAC name of (1,2,3-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl)methanol (CID 163143797) is (1,2,3-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl)methanol.
What is the SMILES notation for (1,2,3-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl)methanol?
The canonical SMILES for (1,2,3-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl)methanol is COc1c2c3c(c(OC)c1OC)-c1ccccc1CC3N(CO)CC2.
What is the InChIKey of (1,2,3-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl)methanol?
The InChIKey is WZEJMXCKRPKRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-23-18-14-8-9-21(11-22)15-10-12-6-4-5-7-13(12)17(16(14)15)19(24-2)20(18)25-3/h4-7,15,22H,8-11H2,1-3H3.
What are the key properties of (1,2,3-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl)methanol?
(1,2,3-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl)methanol has a molecular weight of 341.41 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,3-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl)methanol is sourced from PubChem (CID 163143797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).