[(2R,3S)-2-methoxy-3-(4-methoxyphenoxy)-6-quinolin-2-yl-3,4-dihydro-2H-chromen-4-yl] 2-(dimethylamino)acetate

C30H30N2O6 — CID 54009899

IUPAC[(2R,3S)-2-methoxy-3-(4-methoxyphenoxy)-6-quinolin-2-yl-3,4-dihydro-2H-chromen-4-yl] 2-(dimethylamino)acetate
SMILESCOc1ccc(O[C@H]2C(OC(=O)CN(C)C)c3cc(-c4ccc5ccccc5n4)ccc3O[C@H]2OC)cc1
InChIInChI=1S/C30H30N2O6/c1-32(2)18-27(33)38-28-23-17-20(25-15-9-19-7-5-6-8-24(19)31-25)10-16-26(23)37-30(35-4)29(28)36-22-13-11-21(34-3)12-14-22/h5-17,28-30H,18H2,1-4H3/t28?,29-,30+/m0/s1
InChIKeyKRORIOHASXFJAI-YHCMTOLSSA-N
MW514.58 g/mol
LogP4.87
Rot. Bonds8

About [(2R,3S)-2-methoxy-3-(4-methoxyphenoxy)-6-quinolin-2-yl-3,4-dihydro-2H-chromen-4-yl] 2-(dimethylamino)acetate

[(2R,3S)-2-methoxy-3-(4-methoxyphenoxy)-6-quinolin-2-yl-3,4-dihydro-2H-chromen-4-yl] 2-(dimethylamino)acetate (PubChem CID 54009899) has the molecular formula C30H30N2O6 and a molecular weight of 514.58 g/mol. Its IUPAC name is [(2R,3S)-2-methoxy-3-(4-methoxyphenoxy)-6-quinolin-2-yl-3,4-dihydro-2H-chromen-4-yl] 2-(dimethylamino)acetate.

Molecular Properties

Compound Name[(2R,3S)-2-methoxy-3-(4-methoxyphenoxy)-6-quinolin-2-yl-3,4-dihydro-2H-chromen-4-yl] 2-(dimethylamino)acetate
PubChem CID54009899
Molecular FormulaC30H30N2O6
Molecular Weight514.58 g/mol
Exact Mass514.21
IUPAC Name[(2R,3S)-2-methoxy-3-(4-methoxyphenoxy)-6-quinolin-2-yl-3,4-dihydro-2H-chromen-4-yl] 2-(dimethylamino)acetate
SMILESCOc1ccc(O[C@H]2C(OC(=O)CN(C)C)c3cc(-c4ccc5ccccc5n4)ccc3O[C@H]2OC)cc1
InChIInChI=1S/C30H30N2O6/c1-32(2)18-27(33)38-28-23-17-20(25-15-9-19-7-5-6-8-24(19)31-25)10-16-26(23)37-30(35-4)29(28)36-22-13-11-21(34-3)12-14-22/h5-17,28-30H,18H2,1-4H3/t28?,29-,30+/m0/s1
InChIKeyKRORIOHASXFJAI-YHCMTOLSSA-N
XLogP4.87
TPSA79.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.58
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 67592091
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CID 70400063
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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-methoxy-3-(4-methoxyphenoxy)-6-quinolin-2-yl-3,4-dihydro-2H-chromen-4-yl] 2-(dimethylamino)acetate?
The IUPAC name of [(2R,3S)-2-methoxy-3-(4-methoxyphenoxy)-6-quinolin-2-yl-3,4-dihydro-2H-chromen-4-yl] 2-(dimethylamino)acetate (CID 54009899) is [(2R,3S)-2-methoxy-3-(4-methoxyphenoxy)-6-quinolin-2-yl-3,4-dihydro-2H-chromen-4-yl] 2-(dimethylamino)acetate.
What is the SMILES notation for [(2R,3S)-2-methoxy-3-(4-methoxyphenoxy)-6-quinolin-2-yl-3,4-dihydro-2H-chromen-4-yl] 2-(dimethylamino)acetate?
The canonical SMILES for [(2R,3S)-2-methoxy-3-(4-methoxyphenoxy)-6-quinolin-2-yl-3,4-dihydro-2H-chromen-4-yl] 2-(dimethylamino)acetate is COc1ccc(O[C@H]2C(OC(=O)CN(C)C)c3cc(-c4ccc5ccccc5n4)ccc3O[C@H]2OC)cc1.
What is the InChIKey of [(2R,3S)-2-methoxy-3-(4-methoxyphenoxy)-6-quinolin-2-yl-3,4-dihydro-2H-chromen-4-yl] 2-(dimethylamino)acetate?
The InChIKey is KRORIOHASXFJAI-YHCMTOLSSA-N. The full InChI is InChI=1S/C30H30N2O6/c1-32(2)18-27(33)38-28-23-17-20(25-15-9-19-7-5-6-8-24(19)31-25)10-16-26(23)37-30(35-4)29(28)36-22-13-11-21(34-3)12-14-22/h5-17,28-30H,18H2,1-4H3/t28?,29-,30+/m0/s1.
What are the key properties of [(2R,3S)-2-methoxy-3-(4-methoxyphenoxy)-6-quinolin-2-yl-3,4-dihydro-2H-chromen-4-yl] 2-(dimethylamino)acetate?
[(2R,3S)-2-methoxy-3-(4-methoxyphenoxy)-6-quinolin-2-yl-3,4-dihydro-2H-chromen-4-yl] 2-(dimethylamino)acetate has a molecular weight of 514.58 g/mol, XLogP of 4.87, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-methoxy-3-(4-methoxyphenoxy)-6-quinolin-2-yl-3,4-dihydro-2H-chromen-4-yl] 2-(dimethylamino)acetate is sourced from PubChem (CID 54009899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).