(6aR)-10-methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol

C20H23NO — CID 10613676

IUPAC(6aR)-10-methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
SMILESCCCN1CCc2cccc3c2[C@H]1Cc1ccc(C)c(O)c1-3
InChIInChI=1S/C20H23NO/c1-3-10-21-11-9-14-5-4-6-16-18(14)17(21)12-15-8-7-13(2)20(22)19(15)16/h4-8,17,22H,3,9-12H2,1-2H3/t17-/m1/s1
InChIKeyOJGAXSYOOYSPGN-QGZVFWFLSA-N
MW293.41 g/mol
LogP4.23
Rot. Bonds2

About (6aR)-10-methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol

(6aR)-10-methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol (PubChem CID 10613676) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (6aR)-10-methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol.

Molecular Properties

Compound Name(6aR)-10-methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
PubChem CID10613676
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(6aR)-10-methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
SMILESCCCN1CCc2cccc3c2[C@H]1Cc1ccc(C)c(O)c1-3
InChIInChI=1S/C20H23NO/c1-3-10-21-11-9-14-5-4-6-16-18(14)17(21)12-15-8-7-13(2)20(22)19(15)16/h4-8,17,22H,3,9-12H2,1-2H3/t17-/m1/s1
InChIKeyOJGAXSYOOYSPGN-QGZVFWFLSA-N
XLogP4.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6aR)-10-methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol?
The IUPAC name of (6aR)-10-methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol (CID 10613676) is (6aR)-10-methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol.
What is the SMILES notation for (6aR)-10-methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol?
The canonical SMILES for (6aR)-10-methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol is CCCN1CCc2cccc3c2[C@H]1Cc1ccc(C)c(O)c1-3.
What is the InChIKey of (6aR)-10-methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol?
The InChIKey is OJGAXSYOOYSPGN-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23NO/c1-3-10-21-11-9-14-5-4-6-16-18(14)17(21)12-15-8-7-13(2)20(22)19(15)16/h4-8,17,22H,3,9-12H2,1-2H3/t17-/m1/s1.
What are the key properties of (6aR)-10-methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol?
(6aR)-10-methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol has a molecular weight of 293.41 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-10-methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol is sourced from PubChem (CID 10613676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).