methyl 3-[[2-imino-6-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-yl]oxy]propanoate

C24H24N2O4 — CID 67739523

IUPACmethyl 3-[[2-imino-6-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-yl]oxy]propanoate
SMILES[H]/N=C1\CCc2cc(OCc3ccc4ccccc4n3)ccc2C1OCCC(=O)OC
InChIInChI=1S/C24H24N2O4/c1-28-23(27)12-13-29-24-20-10-9-19(14-17(20)7-11-21(24)25)30-15-18-8-6-16-4-2-3-5-22(16)26-18/h2-6,8-10,14,24-25H,7,11-13,15H2,1H3/b25-21+
InChIKeyHSSKLAUZISPLID-NJNXFGOHSA-N
MW404.47 g/mol
LogP4.40
Rot. Bonds7

About methyl 3-[[2-imino-6-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-yl]oxy]propanoate

methyl 3-[[2-imino-6-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-yl]oxy]propanoate (PubChem CID 67739523) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is methyl 3-[[2-imino-6-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-yl]oxy]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-imino-6-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-yl]oxy]propanoate
PubChem CID67739523
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Namemethyl 3-[[2-imino-6-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-yl]oxy]propanoate
SMILES[H]/N=C1\CCc2cc(OCc3ccc4ccccc4n3)ccc2C1OCCC(=O)OC
InChIInChI=1S/C24H24N2O4/c1-28-23(27)12-13-29-24-20-10-9-19(14-17(20)7-11-21(24)25)30-15-18-8-6-16-4-2-3-5-22(16)26-18/h2-6,8-10,14,24-25H,7,11-13,15H2,1H3/b25-21+
InChIKeyHSSKLAUZISPLID-NJNXFGOHSA-N
XLogP4.40
TPSA81.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze methyl 3-[[2-imino-6-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-yl]oxy]propanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-imino-6-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-yl]oxy]propanoate?
The IUPAC name of methyl 3-[[2-imino-6-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-yl]oxy]propanoate (CID 67739523) is methyl 3-[[2-imino-6-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-yl]oxy]propanoate.
What is the SMILES notation for methyl 3-[[2-imino-6-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-yl]oxy]propanoate?
The canonical SMILES for methyl 3-[[2-imino-6-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-yl]oxy]propanoate is [H]/N=C1\CCc2cc(OCc3ccc4ccccc4n3)ccc2C1OCCC(=O)OC.
What is the InChIKey of methyl 3-[[2-imino-6-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-yl]oxy]propanoate?
The InChIKey is HSSKLAUZISPLID-NJNXFGOHSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-28-23(27)12-13-29-24-20-10-9-19(14-17(20)7-11-21(24)25)30-15-18-8-6-16-4-2-3-5-22(16)26-18/h2-6,8-10,14,24-25H,7,11-13,15H2,1H3/b25-21+.
What are the key properties of methyl 3-[[2-imino-6-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-yl]oxy]propanoate?
methyl 3-[[2-imino-6-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-yl]oxy]propanoate has a molecular weight of 404.47 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-imino-6-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-yl]oxy]propanoate is sourced from PubChem (CID 67739523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).