(6aR)-10-ethyl-11-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

C20H23NO — CID 10637496

IUPAC(6aR)-10-ethyl-11-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
SMILESCCc1ccc2c(c1OC)-c1cccc3c1[C@@H](C2)N(C)CC3
InChIInChI=1S/C20H23NO/c1-4-13-8-9-15-12-17-18-14(10-11-21(17)2)6-5-7-16(18)19(15)20(13)22-3/h5-9,17H,4,10-12H2,1-3H3/t17-/m1/s1
InChIKeyPDGILEDXASXMHL-QGZVFWFLSA-N
MW293.41 g/mol
LogP4.01
Rot. Bonds2

About (6aR)-10-ethyl-11-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

(6aR)-10-ethyl-11-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline (PubChem CID 10637496) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (6aR)-10-ethyl-11-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.

Molecular Properties

Compound Name(6aR)-10-ethyl-11-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
PubChem CID10637496
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(6aR)-10-ethyl-11-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
SMILESCCc1ccc2c(c1OC)-c1cccc3c1[C@@H](C2)N(C)CC3
InChIInChI=1S/C20H23NO/c1-4-13-8-9-15-12-17-18-14(10-11-21(17)2)6-5-7-16(18)19(15)20(13)22-3/h5-9,17H,4,10-12H2,1-3H3/t17-/m1/s1
InChIKeyPDGILEDXASXMHL-QGZVFWFLSA-N
XLogP4.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6aR)-10-ethyl-11-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The IUPAC name of (6aR)-10-ethyl-11-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline (CID 10637496) is (6aR)-10-ethyl-11-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.
What is the SMILES notation for (6aR)-10-ethyl-11-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The canonical SMILES for (6aR)-10-ethyl-11-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is CCc1ccc2c(c1OC)-c1cccc3c1[C@@H](C2)N(C)CC3.
What is the InChIKey of (6aR)-10-ethyl-11-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The InChIKey is PDGILEDXASXMHL-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23NO/c1-4-13-8-9-15-12-17-18-14(10-11-21(17)2)6-5-7-16(18)19(15)20(13)22-3/h5-9,17H,4,10-12H2,1-3H3/t17-/m1/s1.
What are the key properties of (6aR)-10-ethyl-11-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
(6aR)-10-ethyl-11-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline has a molecular weight of 293.41 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-10-ethyl-11-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is sourced from PubChem (CID 10637496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).