(6aR)-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol

C17H17NO2 — CID 23335

IUPAC(6aR)-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
SMILESCOc1cc2c3c(c1O)-c1ccccc1C[C@H]3NCC2
InChIInChI=1S/C17H17NO2/c1-20-14-9-11-6-7-18-13-8-10-4-2-3-5-12(10)16(15(11)13)17(14)19/h2-5,9,13,18-19H,6-8H2,1H3/t13-/m1/s1
InChIKeyDUSFBAYEYGRYOT-CYBMUJFWSA-N
MW267.33 g/mol
LogP2.81
Rot. Bonds1

About (6aR)-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol

(6aR)-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol (PubChem CID 23335) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (6aR)-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol.

Molecular Properties

Compound Name(6aR)-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
PubChem CID23335
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(6aR)-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
SMILESCOc1cc2c3c(c1O)-c1ccccc1C[C@H]3NCC2
InChIInChI=1S/C17H17NO2/c1-20-14-9-11-6-7-18-13-8-10-4-2-3-5-12(10)16(15(11)13)17(14)19/h2-5,9,13,18-19H,6-8H2,1H3/t13-/m1/s1
InChIKeyDUSFBAYEYGRYOT-CYBMUJFWSA-N
XLogP2.81
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6aR)-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol?
The IUPAC name of (6aR)-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol (CID 23335) is (6aR)-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol.
What is the SMILES notation for (6aR)-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol?
The canonical SMILES for (6aR)-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol is COc1cc2c3c(c1O)-c1ccccc1C[C@H]3NCC2.
What is the InChIKey of (6aR)-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol?
The InChIKey is DUSFBAYEYGRYOT-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17NO2/c1-20-14-9-11-6-7-18-13-8-10-4-2-3-5-12(10)16(15(11)13)17(14)19/h2-5,9,13,18-19H,6-8H2,1H3/t13-/m1/s1.
What are the key properties of (6aR)-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol?
(6aR)-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol has a molecular weight of 267.33 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol is sourced from PubChem (CID 23335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).