dimethyl 1-[2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]-6,7-dimethoxynaphthalene-2,3-dicarboxylate

C36H42N2O7Si — CID 66867671

IUPACdimethyl 1-[2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]-6,7-dimethoxynaphthalene-2,3-dicarboxylate
SMILESCOC(=O)c1cc2cc(OC)c(OC)cc2c(-c2ccnc(N3CC[C@H](O[Si](C)(C)C(C)(C)C)c4ccccc43)c2)c1C(=O)OC
InChIInChI=1S/C36H42N2O7Si/c1-36(2,3)46(8,9)45-28-15-17-38(27-13-11-10-12-24(27)28)31-20-22(14-16-37-31)32-25-21-30(42-5)29(41-4)19-23(25)18-26(34(39)43-6)33(32)35(40)44-7/h10-14,16,18-21,28H,15,17H2,1-9H3/t28-/m0/s1
InChIKeyOSAICBOXRLIVSF-NDEPHWFRSA-N
MW642.83 g/mol
LogP8.10
Rot. Bonds8

About dimethyl 1-[2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]-6,7-dimethoxynaphthalene-2,3-dicarboxylate

dimethyl 1-[2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]-6,7-dimethoxynaphthalene-2,3-dicarboxylate (PubChem CID 66867671) has the molecular formula C36H42N2O7Si and a molecular weight of 642.83 g/mol. Its IUPAC name is dimethyl 1-[2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]-6,7-dimethoxynaphthalene-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-[2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]-6,7-dimethoxynaphthalene-2,3-dicarboxylate
PubChem CID66867671
Molecular FormulaC36H42N2O7Si
Molecular Weight642.83 g/mol
Exact Mass642.28
IUPAC Namedimethyl 1-[2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]-6,7-dimethoxynaphthalene-2,3-dicarboxylate
SMILESCOC(=O)c1cc2cc(OC)c(OC)cc2c(-c2ccnc(N3CC[C@H](O[Si](C)(C)C(C)(C)C)c4ccccc43)c2)c1C(=O)OC
InChIInChI=1S/C36H42N2O7Si/c1-36(2,3)46(8,9)45-28-15-17-38(27-13-11-10-12-24(27)28)31-20-22(14-16-37-31)32-25-21-30(42-5)29(41-4)19-23(25)18-26(34(39)43-6)33(32)35(40)44-7/h10-14,16,18-21,28H,15,17H2,1-9H3/t28-/m0/s1
InChIKeyOSAICBOXRLIVSF-NDEPHWFRSA-N
XLogP8.10
TPSA96.42 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.83
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze dimethyl 1-[2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]-6,7-dimethoxynaphthalene-2,3-dicarboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of dimethyl 1-[2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]-6,7-dimethoxynaphthalene-2,3-dicarboxylate?
The IUPAC name of dimethyl 1-[2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]-6,7-dimethoxynaphthalene-2,3-dicarboxylate (CID 66867671) is dimethyl 1-[2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]-6,7-dimethoxynaphthalene-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 1-[2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]-6,7-dimethoxynaphthalene-2,3-dicarboxylate?
The canonical SMILES for dimethyl 1-[2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]-6,7-dimethoxynaphthalene-2,3-dicarboxylate is COC(=O)c1cc2cc(OC)c(OC)cc2c(-c2ccnc(N3CC[C@H](O[Si](C)(C)C(C)(C)C)c4ccccc43)c2)c1C(=O)OC.
What is the InChIKey of dimethyl 1-[2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]-6,7-dimethoxynaphthalene-2,3-dicarboxylate?
The InChIKey is OSAICBOXRLIVSF-NDEPHWFRSA-N. The full InChI is InChI=1S/C36H42N2O7Si/c1-36(2,3)46(8,9)45-28-15-17-38(27-13-11-10-12-24(27)28)31-20-22(14-16-37-31)32-25-21-30(42-5)29(41-4)19-23(25)18-26(34(39)43-6)33(32)35(40)44-7/h10-14,16,18-21,28H,15,17H2,1-9H3/t28-/m0/s1.
What are the key properties of dimethyl 1-[2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]-6,7-dimethoxynaphthalene-2,3-dicarboxylate?
dimethyl 1-[2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]-6,7-dimethoxynaphthalene-2,3-dicarboxylate has a molecular weight of 642.83 g/mol, XLogP of 8.10, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-[2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]-6,7-dimethoxynaphthalene-2,3-dicarboxylate is sourced from PubChem (CID 66867671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).