methyl 2-[(6R,8R)-6-methyl-5,10-dioxo-4-phenylmethoxy-8,9-dihydro-6H-pyrano[3,4-g]quinolin-8-yl]acetate

C23H21NO6 — CID 10835231

IUPACmethyl 2-[(6R,8R)-6-methyl-5,10-dioxo-4-phenylmethoxy-8,9-dihydro-6H-pyrano[3,4-g]quinolin-8-yl]acetate
SMILESCOC(=O)C[C@H]1CC2=C(C(=O)c3c(OCc4ccccc4)ccnc3C2=O)[C@@H](C)O1
InChIInChI=1S/C23H21NO6/c1-13-19-16(10-15(30-13)11-18(25)28-2)22(26)21-20(23(19)27)17(8-9-24-21)29-12-14-6-4-3-5-7-14/h3-9,13,15H,10-12H2,1-2H3/t13-,15-/m1/s1
InChIKeyDOJNEZVMIZMDBM-UKRRQHHQSA-N
MW407.42 g/mol
LogP3.08
Rot. Bonds5

About methyl 2-[(6R,8R)-6-methyl-5,10-dioxo-4-phenylmethoxy-8,9-dihydro-6H-pyrano[3,4-g]quinolin-8-yl]acetate

methyl 2-[(6R,8R)-6-methyl-5,10-dioxo-4-phenylmethoxy-8,9-dihydro-6H-pyrano[3,4-g]quinolin-8-yl]acetate (PubChem CID 10835231) has the molecular formula C23H21NO6 and a molecular weight of 407.42 g/mol. Its IUPAC name is methyl 2-[(6R,8R)-6-methyl-5,10-dioxo-4-phenylmethoxy-8,9-dihydro-6H-pyrano[3,4-g]quinolin-8-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(6R,8R)-6-methyl-5,10-dioxo-4-phenylmethoxy-8,9-dihydro-6H-pyrano[3,4-g]quinolin-8-yl]acetate
PubChem CID10835231
Molecular FormulaC23H21NO6
Molecular Weight407.42 g/mol
Exact Mass407.14
IUPAC Namemethyl 2-[(6R,8R)-6-methyl-5,10-dioxo-4-phenylmethoxy-8,9-dihydro-6H-pyrano[3,4-g]quinolin-8-yl]acetate
SMILESCOC(=O)C[C@H]1CC2=C(C(=O)c3c(OCc4ccccc4)ccnc3C2=O)[C@@H](C)O1
InChIInChI=1S/C23H21NO6/c1-13-19-16(10-15(30-13)11-18(25)28-2)22(26)21-20(23(19)27)17(8-9-24-21)29-12-14-6-4-3-5-7-14/h3-9,13,15H,10-12H2,1-2H3/t13-,15-/m1/s1
InChIKeyDOJNEZVMIZMDBM-UKRRQHHQSA-N
XLogP3.08
TPSA91.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze methyl 2-[(6R,8R)-6-methyl-5,10-dioxo-4-phenylmethoxy-8,9-dihydro-6H-pyrano[3,4-g]quinolin-8-yl]acetate with MolForge

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Related Compounds

methyl 2-[(1S,3R)-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetate
CID 14059023
methyl 2-[(6R,8R)-3-hydroxy-6-methyl-5,10-dioxo-8,9-dihydro-6H-pyrano[3,4-g]quinolin-8-yl]acetate
CID 10639170
methyl 2-[(1R,3R)-6-methoxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetate
CID 10088004
methyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate
CID 72501445
methyl 2-[(1R,3R)-9-hydroxy-5,10-dioxo-1-propyl-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetate
CID 100978986
methyl 2-[(2R,6R)-4-methylidene-6-(2-phenylethyl)oxan-2-yl]acetate
CID 102186278
3,4-bis(phenylmethoxy)pyridine-2-carbaldehyde
CID 23245667
methyl 3-[2,3-bis(phenylmethoxy)phenyl]-3-oxopropanoate
CID 19929834
methyl 2-(6-methyl-2-phenyl-1,3-dioxan-4-yl)acetate
CID 91609014
methyl 2-[(2S,3S,4R,5R,6R)-6-(aminomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]acetate
CID 11145593
methyl 2-[2-[2,3-bis(phenylmethoxy)benzoyl]hydrazinyl]acetate
CID 138654400
methyl 2-[(3R,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]acetate
CID 90874462

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6R,8R)-6-methyl-5,10-dioxo-4-phenylmethoxy-8,9-dihydro-6H-pyrano[3,4-g]quinolin-8-yl]acetate?
The IUPAC name of methyl 2-[(6R,8R)-6-methyl-5,10-dioxo-4-phenylmethoxy-8,9-dihydro-6H-pyrano[3,4-g]quinolin-8-yl]acetate (CID 10835231) is methyl 2-[(6R,8R)-6-methyl-5,10-dioxo-4-phenylmethoxy-8,9-dihydro-6H-pyrano[3,4-g]quinolin-8-yl]acetate.
What is the SMILES notation for methyl 2-[(6R,8R)-6-methyl-5,10-dioxo-4-phenylmethoxy-8,9-dihydro-6H-pyrano[3,4-g]quinolin-8-yl]acetate?
The canonical SMILES for methyl 2-[(6R,8R)-6-methyl-5,10-dioxo-4-phenylmethoxy-8,9-dihydro-6H-pyrano[3,4-g]quinolin-8-yl]acetate is COC(=O)C[C@H]1CC2=C(C(=O)c3c(OCc4ccccc4)ccnc3C2=O)[C@@H](C)O1.
What is the InChIKey of methyl 2-[(6R,8R)-6-methyl-5,10-dioxo-4-phenylmethoxy-8,9-dihydro-6H-pyrano[3,4-g]quinolin-8-yl]acetate?
The InChIKey is DOJNEZVMIZMDBM-UKRRQHHQSA-N. The full InChI is InChI=1S/C23H21NO6/c1-13-19-16(10-15(30-13)11-18(25)28-2)22(26)21-20(23(19)27)17(8-9-24-21)29-12-14-6-4-3-5-7-14/h3-9,13,15H,10-12H2,1-2H3/t13-,15-/m1/s1.
What are the key properties of methyl 2-[(6R,8R)-6-methyl-5,10-dioxo-4-phenylmethoxy-8,9-dihydro-6H-pyrano[3,4-g]quinolin-8-yl]acetate?
methyl 2-[(6R,8R)-6-methyl-5,10-dioxo-4-phenylmethoxy-8,9-dihydro-6H-pyrano[3,4-g]quinolin-8-yl]acetate has a molecular weight of 407.42 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6R,8R)-6-methyl-5,10-dioxo-4-phenylmethoxy-8,9-dihydro-6H-pyrano[3,4-g]quinolin-8-yl]acetate is sourced from PubChem (CID 10835231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).