(6aR)-2,10-dimethoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

C21H25NO2 — CID 15748186

IUPAC(6aR)-2,10-dimethoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
SMILESCCCN1CCc2cc(OC)cc3c2[C@H]1Cc1ccc(OC)cc1-3
InChIInChI=1S/C21H25NO2/c1-4-8-22-9-7-15-10-17(24-3)13-19-18-12-16(23-2)6-5-14(18)11-20(22)21(15)19/h5-6,10,12-13,20H,4,7-9,11H2,1-3H3/t20-/m1/s1
InChIKeyYXEUDCGRGJJGHW-HXUWFJFHSA-N
MW323.44 g/mol
LogP4.24
Rot. Bonds4

About (6aR)-2,10-dimethoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

(6aR)-2,10-dimethoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline (PubChem CID 15748186) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (6aR)-2,10-dimethoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.

Molecular Properties

Compound Name(6aR)-2,10-dimethoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
PubChem CID15748186
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name(6aR)-2,10-dimethoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
SMILESCCCN1CCc2cc(OC)cc3c2[C@H]1Cc1ccc(OC)cc1-3
InChIInChI=1S/C21H25NO2/c1-4-8-22-9-7-15-10-17(24-3)13-19-18-12-16(23-2)6-5-14(18)11-20(22)21(15)19/h5-6,10,12-13,20H,4,7-9,11H2,1-3H3/t20-/m1/s1
InChIKeyYXEUDCGRGJJGHW-HXUWFJFHSA-N
XLogP4.24
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6aR)-2,10-dimethoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluoroethoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
CID 75967295
(6aR)-6-propyl-2-(tritritiomethoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol;2,2,2-trifluoroacetic acid
CID 24795815
(6aR)-2-(3-fluoropropoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol;methane
CID 160830593
(6aR)-10-methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
CID 10613676
(6aR)-2-methoxy-6-methyl-10-prop-2-enyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
CID 46180259
[(6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]methanamine
CID 129406150
(3aS,9bR)-8-methoxy-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole
CID 100948186
5-methyl-13-propyl-4-oxa-13-azapentacyclo[10.7.1.02,10.03,7.016,20]icosa-1(19),2(10),3(7),8,16(20),17-hexaene
CID 75164329
(6aR)-10,11-bis(phenylmethoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol
CID 24795220
(6aR)-2-methoxy-6-methyl-11-prop-2-enoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 46180258
[(6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl] N-methylcarbamate
CID 25166005
6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene
CID 11573806

Frequently Asked Questions

What is the IUPAC name of (6aR)-2,10-dimethoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The IUPAC name of (6aR)-2,10-dimethoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline (CID 15748186) is (6aR)-2,10-dimethoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.
What is the SMILES notation for (6aR)-2,10-dimethoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The canonical SMILES for (6aR)-2,10-dimethoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is CCCN1CCc2cc(OC)cc3c2[C@H]1Cc1ccc(OC)cc1-3.
What is the InChIKey of (6aR)-2,10-dimethoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The InChIKey is YXEUDCGRGJJGHW-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25NO2/c1-4-8-22-9-7-15-10-17(24-3)13-19-18-12-16(23-2)6-5-14(18)11-20(22)21(15)19/h5-6,10,12-13,20H,4,7-9,11H2,1-3H3/t20-/m1/s1.
What are the key properties of (6aR)-2,10-dimethoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
(6aR)-2,10-dimethoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline has a molecular weight of 323.44 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-2,10-dimethoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is sourced from PubChem (CID 15748186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).