[(6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl] N-methylcarbamate

C22H26N2O3 — CID 25166005

IUPAC[(6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl] N-methylcarbamate
SMILESCCCN1CCc2cc(OC)c(OC(=O)NC)c3c2[C@H]1Cc1ccccc1-3
InChIInChI=1S/C22H26N2O3/c1-4-10-24-11-9-15-13-18(26-3)21(27-22(25)23-2)20-16-8-6-5-7-14(16)12-17(24)19(15)20/h5-8,13,17H,4,9-12H2,1-3H3,(H,23,25)/t17-/m1/s1
InChIKeyPQDRSMJABNLIPR-QGZVFWFLSA-N
MW366.46 g/mol
LogP3.95
Rot. Bonds4

About [(6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl] N-methylcarbamate

[(6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl] N-methylcarbamate (PubChem CID 25166005) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is [(6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl] N-methylcarbamate.

Molecular Properties

Compound Name[(6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl] N-methylcarbamate
PubChem CID25166005
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name[(6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl] N-methylcarbamate
SMILESCCCN1CCc2cc(OC)c(OC(=O)NC)c3c2[C@H]1Cc1ccccc1-3
InChIInChI=1S/C22H26N2O3/c1-4-10-24-11-9-15-13-18(26-3)21(27-22(25)23-2)20-16-8-6-5-7-14(16)12-17(24)19(15)20/h5-8,13,17H,4,9-12H2,1-3H3,(H,23,25)/t17-/m1/s1
InChIKeyPQDRSMJABNLIPR-QGZVFWFLSA-N
XLogP3.95
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl] N-methylcarbamate with MolForge

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Related Compounds

N-methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1-carboxamide
CID 91099741
tert-butyl 1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate
CID 71816662
[(6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl] butanoate
CID 25141414
bis[(6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl] pentanedioate
CID 46176314
11-(2-methylprop-2-enoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 75164299
methyl (6aR)-10-hydroxy-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate
CID 162401837
(1,2,3-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl)methanol
CID 163143797
(2-fluoro-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl) 2-methylpropanoate
CID 11508904
(6aR)-10,11-bis(phenylmethoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol
CID 24795220
1,2,8-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 21447064
(6aR)-2,10-dimethoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 15748186
2-propyl-2,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5,7,9(16),10,13-pentaene-7,8-diol;hydrobromide
CID 70550911

Frequently Asked Questions

What is the IUPAC name of [(6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl] N-methylcarbamate?
The IUPAC name of [(6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl] N-methylcarbamate (CID 25166005) is [(6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl] N-methylcarbamate.
What is the SMILES notation for [(6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl] N-methylcarbamate?
The canonical SMILES for [(6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl] N-methylcarbamate is CCCN1CCc2cc(OC)c(OC(=O)NC)c3c2[C@H]1Cc1ccccc1-3.
What is the InChIKey of [(6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl] N-methylcarbamate?
The InChIKey is PQDRSMJABNLIPR-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-4-10-24-11-9-15-13-18(26-3)21(27-22(25)23-2)20-16-8-6-5-7-14(16)12-17(24)19(15)20/h5-8,13,17H,4,9-12H2,1-3H3,(H,23,25)/t17-/m1/s1.
What are the key properties of [(6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl] N-methylcarbamate?
[(6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl] N-methylcarbamate has a molecular weight of 366.46 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl] N-methylcarbamate is sourced from PubChem (CID 25166005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).