[7-(4-methoxyphenyl)-5-methyl-6-oxo-2,3-dihydrofuro[3,2-h]quinolin-9-yl]methyl dihydrogen phosphate

C20H20NO7P — CID 58492367

IUPAC[7-(4-methoxyphenyl)-5-methyl-6-oxo-2,3-dihydrofuro[3,2-h]quinolin-9-yl]methyl dihydrogen phosphate
SMILESCOc1ccc(-c2cn(COP(=O)(O)O)c3c4c(cc(C)c3c2=O)CCO4)cc1
InChIInChI=1S/C20H20NO7P/c1-12-9-14-7-8-27-20(14)18-17(12)19(22)16(10-21(18)11-28-29(23,24)25)13-3-5-15(26-2)6-4-13/h3-6,9-10H,7-8,11H2,1-2H3,(H2,23,24,25)
InChIKeyNSFPQTFSXMIDOU-UHFFFAOYSA-N
MW417.35 g/mol
LogP2.99
Rot. Bonds5

About [7-(4-methoxyphenyl)-5-methyl-6-oxo-2,3-dihydrofuro[3,2-h]quinolin-9-yl]methyl dihydrogen phosphate

[7-(4-methoxyphenyl)-5-methyl-6-oxo-2,3-dihydrofuro[3,2-h]quinolin-9-yl]methyl dihydrogen phosphate (PubChem CID 58492367) has the molecular formula C20H20NO7P and a molecular weight of 417.35 g/mol. Its IUPAC name is [7-(4-methoxyphenyl)-5-methyl-6-oxo-2,3-dihydrofuro[3,2-h]quinolin-9-yl]methyl dihydrogen phosphate.

Molecular Properties

Compound Name[7-(4-methoxyphenyl)-5-methyl-6-oxo-2,3-dihydrofuro[3,2-h]quinolin-9-yl]methyl dihydrogen phosphate
PubChem CID58492367
Molecular FormulaC20H20NO7P
Molecular Weight417.35 g/mol
Exact Mass417.10
IUPAC Name[7-(4-methoxyphenyl)-5-methyl-6-oxo-2,3-dihydrofuro[3,2-h]quinolin-9-yl]methyl dihydrogen phosphate
SMILESCOc1ccc(-c2cn(COP(=O)(O)O)c3c4c(cc(C)c3c2=O)CCO4)cc1
InChIInChI=1S/C20H20NO7P/c1-12-9-14-7-8-27-20(14)18-17(12)19(22)16(10-21(18)11-28-29(23,24)25)13-3-5-15(26-2)6-4-13/h3-6,9-10H,7-8,11H2,1-2H3,(H2,23,24,25)
InChIKeyNSFPQTFSXMIDOU-UHFFFAOYSA-N
XLogP2.99
TPSA107.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [7-(4-methoxyphenyl)-5-methyl-6-oxo-2,3-dihydrofuro[3,2-h]quinolin-9-yl]methyl dihydrogen phosphate?
The IUPAC name of [7-(4-methoxyphenyl)-5-methyl-6-oxo-2,3-dihydrofuro[3,2-h]quinolin-9-yl]methyl dihydrogen phosphate (CID 58492367) is [7-(4-methoxyphenyl)-5-methyl-6-oxo-2,3-dihydrofuro[3,2-h]quinolin-9-yl]methyl dihydrogen phosphate.
What is the SMILES notation for [7-(4-methoxyphenyl)-5-methyl-6-oxo-2,3-dihydrofuro[3,2-h]quinolin-9-yl]methyl dihydrogen phosphate?
The canonical SMILES for [7-(4-methoxyphenyl)-5-methyl-6-oxo-2,3-dihydrofuro[3,2-h]quinolin-9-yl]methyl dihydrogen phosphate is COc1ccc(-c2cn(COP(=O)(O)O)c3c4c(cc(C)c3c2=O)CCO4)cc1.
What is the InChIKey of [7-(4-methoxyphenyl)-5-methyl-6-oxo-2,3-dihydrofuro[3,2-h]quinolin-9-yl]methyl dihydrogen phosphate?
The InChIKey is NSFPQTFSXMIDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20NO7P/c1-12-9-14-7-8-27-20(14)18-17(12)19(22)16(10-21(18)11-28-29(23,24)25)13-3-5-15(26-2)6-4-13/h3-6,9-10H,7-8,11H2,1-2H3,(H2,23,24,25).
What are the key properties of [7-(4-methoxyphenyl)-5-methyl-6-oxo-2,3-dihydrofuro[3,2-h]quinolin-9-yl]methyl dihydrogen phosphate?
[7-(4-methoxyphenyl)-5-methyl-6-oxo-2,3-dihydrofuro[3,2-h]quinolin-9-yl]methyl dihydrogen phosphate has a molecular weight of 417.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(4-methoxyphenyl)-5-methyl-6-oxo-2,3-dihydrofuro[3,2-h]quinolin-9-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 58492367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).