methyl 1-(quinolin-8-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxylate

C21H20N2O2 — CID 71879521

IUPACmethyl 1-(quinolin-8-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCCN2Cc1cccc2cccnc12
InChIInChI=1S/C21H20N2O2/c1-25-21(24)17-9-10-19-16(13-17)8-4-12-23(19)14-18-6-2-5-15-7-3-11-22-20(15)18/h2-3,5-7,9-11,13H,4,8,12,14H2,1H3
InChIKeyLHQNJPZJNNQOPU-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.97
Rot. Bonds3

About methyl 1-(quinolin-8-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxylate

methyl 1-(quinolin-8-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxylate (PubChem CID 71879521) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is methyl 1-(quinolin-8-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-(quinolin-8-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxylate
PubChem CID71879521
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Namemethyl 1-(quinolin-8-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCCN2Cc1cccc2cccnc12
InChIInChI=1S/C21H20N2O2/c1-25-21(24)17-9-10-19-16(13-17)8-4-12-23(19)14-18-6-2-5-15-7-3-11-22-20(15)18/h2-3,5-7,9-11,13H,4,8,12,14H2,1H3
InChIKeyLHQNJPZJNNQOPU-UHFFFAOYSA-N
XLogP3.97
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(quinolin-8-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxylate?
The IUPAC name of methyl 1-(quinolin-8-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxylate (CID 71879521) is methyl 1-(quinolin-8-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxylate.
What is the SMILES notation for methyl 1-(quinolin-8-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxylate?
The canonical SMILES for methyl 1-(quinolin-8-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxylate is COC(=O)c1ccc2c(c1)CCCN2Cc1cccc2cccnc12.
What is the InChIKey of methyl 1-(quinolin-8-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxylate?
The InChIKey is LHQNJPZJNNQOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-25-21(24)17-9-10-19-16(13-17)8-4-12-23(19)14-18-6-2-5-15-7-3-11-22-20(15)18/h2-3,5-7,9-11,13H,4,8,12,14H2,1H3.
What are the key properties of methyl 1-(quinolin-8-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxylate?
methyl 1-(quinolin-8-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(quinolin-8-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxylate is sourced from PubChem (CID 71879521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).