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

C18H19N — CID 10610641

IUPAC(6aR)-6,11-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
SMILESCc1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3
InChIInChI=1S/C18H19N/c1-12-5-3-7-14-11-16-18-13(9-10-19(16)2)6-4-8-15(18)17(12)14/h3-8,16H,9-11H2,1-2H3/t16-/m1/s1
InChIKeyIVHTVHNCRZDRRG-MRXNPFEDSA-N
MW249.36 g/mol
LogP3.75
Rot. Bonds

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

(6aR)-6,11-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline (PubChem CID 10610641) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is (6aR)-6,11-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.

Molecular Properties

Compound Name(6aR)-6,11-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
PubChem CID10610641
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name(6aR)-6,11-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
SMILESCc1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3
InChIInChI=1S/C18H19N/c1-12-5-3-7-14-11-16-18-13(9-10-19(16)2)6-4-8-15(18)17(12)14/h3-8,16H,9-11H2,1-2H3/t16-/m1/s1
InChIKeyIVHTVHNCRZDRRG-MRXNPFEDSA-N
XLogP3.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6aR)-6,11-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The IUPAC name of (6aR)-6,11-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline (CID 10610641) is (6aR)-6,11-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.
What is the SMILES notation for (6aR)-6,11-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The canonical SMILES for (6aR)-6,11-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is Cc1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3.
What is the InChIKey of (6aR)-6,11-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The InChIKey is IVHTVHNCRZDRRG-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19N/c1-12-5-3-7-14-11-16-18-13(9-10-19(16)2)6-4-8-15(18)17(12)14/h3-8,16H,9-11H2,1-2H3/t16-/m1/s1.
What are the key properties of (6aR)-6,11-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
(6aR)-6,11-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline has a molecular weight of 249.36 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-6,11-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is sourced from PubChem (CID 10610641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).