(6aR)-11-ethyl-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

C19H21N — CID 10061323

IUPAC(6aR)-11-ethyl-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
SMILESCCc1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3
InChIInChI=1S/C19H21N/c1-3-13-6-4-8-15-12-17-19-14(10-11-20(17)2)7-5-9-16(19)18(13)15/h4-9,17H,3,10-12H2,1-2H3/t17-/m1/s1
InChIKeyKCQGEEQDLXFPPZ-QGZVFWFLSA-N
MW263.38 g/mol
LogP4.00
Rot. Bonds1

About (6aR)-11-ethyl-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

(6aR)-11-ethyl-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline (PubChem CID 10061323) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is (6aR)-11-ethyl-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.

Molecular Properties

Compound Name(6aR)-11-ethyl-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
PubChem CID10061323
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name(6aR)-11-ethyl-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
SMILESCCc1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3
InChIInChI=1S/C19H21N/c1-3-13-6-4-8-15-12-17-19-14(10-11-20(17)2)7-5-9-16(19)18(13)15/h4-9,17H,3,10-12H2,1-2H3/t17-/m1/s1
InChIKeyKCQGEEQDLXFPPZ-QGZVFWFLSA-N
XLogP4.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6aR)-11-ethyl-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The IUPAC name of (6aR)-11-ethyl-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline (CID 10061323) is (6aR)-11-ethyl-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.
What is the SMILES notation for (6aR)-11-ethyl-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The canonical SMILES for (6aR)-11-ethyl-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is CCc1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3.
What is the InChIKey of (6aR)-11-ethyl-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The InChIKey is KCQGEEQDLXFPPZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21N/c1-3-13-6-4-8-15-12-17-19-14(10-11-20(17)2)7-5-9-16(19)18(13)15/h4-9,17H,3,10-12H2,1-2H3/t17-/m1/s1.
What are the key properties of (6aR)-11-ethyl-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
(6aR)-11-ethyl-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline has a molecular weight of 263.38 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-11-ethyl-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is sourced from PubChem (CID 10061323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).