methyl 6-methoxy-1-methyl-4a,5,10,10a-tetrahydro-2H-benzo[g]quinoline-3-carboxylate

C17H21NO3 — CID 18789283

IUPACmethyl 6-methoxy-1-methyl-4a,5,10,10a-tetrahydro-2H-benzo[g]quinoline-3-carboxylate
SMILESCOC(=O)C1=CC2Cc3c(cccc3OC)CC2N(C)C1
InChIInChI=1S/C17H21NO3/c1-18-10-13(17(19)21-3)7-12-8-14-11(9-15(12)18)5-4-6-16(14)20-2/h4-7,12,15H,8-10H2,1-3H3
InChIKeyVYMPHOLBCKWQPE-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.82
Rot. Bonds2

About methyl 6-methoxy-1-methyl-4a,5,10,10a-tetrahydro-2H-benzo[g]quinoline-3-carboxylate

methyl 6-methoxy-1-methyl-4a,5,10,10a-tetrahydro-2H-benzo[g]quinoline-3-carboxylate (PubChem CID 18789283) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is methyl 6-methoxy-1-methyl-4a,5,10,10a-tetrahydro-2H-benzo[g]quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-1-methyl-4a,5,10,10a-tetrahydro-2H-benzo[g]quinoline-3-carboxylate
PubChem CID18789283
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Namemethyl 6-methoxy-1-methyl-4a,5,10,10a-tetrahydro-2H-benzo[g]quinoline-3-carboxylate
SMILESCOC(=O)C1=CC2Cc3c(cccc3OC)CC2N(C)C1
InChIInChI=1S/C17H21NO3/c1-18-10-13(17(19)21-3)7-12-8-14-11(9-15(12)18)5-4-6-16(14)20-2/h4-7,12,15H,8-10H2,1-3H3
InChIKeyVYMPHOLBCKWQPE-UHFFFAOYSA-N
XLogP1.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-1-methyl-4a,5,10,10a-tetrahydro-2H-benzo[g]quinoline-3-carboxylate?
The IUPAC name of methyl 6-methoxy-1-methyl-4a,5,10,10a-tetrahydro-2H-benzo[g]quinoline-3-carboxylate (CID 18789283) is methyl 6-methoxy-1-methyl-4a,5,10,10a-tetrahydro-2H-benzo[g]quinoline-3-carboxylate.
What is the SMILES notation for methyl 6-methoxy-1-methyl-4a,5,10,10a-tetrahydro-2H-benzo[g]quinoline-3-carboxylate?
The canonical SMILES for methyl 6-methoxy-1-methyl-4a,5,10,10a-tetrahydro-2H-benzo[g]quinoline-3-carboxylate is COC(=O)C1=CC2Cc3c(cccc3OC)CC2N(C)C1.
What is the InChIKey of methyl 6-methoxy-1-methyl-4a,5,10,10a-tetrahydro-2H-benzo[g]quinoline-3-carboxylate?
The InChIKey is VYMPHOLBCKWQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-18-10-13(17(19)21-3)7-12-8-14-11(9-15(12)18)5-4-6-16(14)20-2/h4-7,12,15H,8-10H2,1-3H3.
What are the key properties of methyl 6-methoxy-1-methyl-4a,5,10,10a-tetrahydro-2H-benzo[g]quinoline-3-carboxylate?
methyl 6-methoxy-1-methyl-4a,5,10,10a-tetrahydro-2H-benzo[g]quinoline-3-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-1-methyl-4a,5,10,10a-tetrahydro-2H-benzo[g]quinoline-3-carboxylate is sourced from PubChem (CID 18789283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).