ethyl 1-[di(propan-2-yloxy)phosphorylmethyl]-4-oxoquinoline-3-carboxylate

C19H26NO6P — CID 62707271

IUPACethyl 1-[di(propan-2-yloxy)phosphorylmethyl]-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(CP(=O)(OC(C)C)OC(C)C)c2ccccc2c1=O
InChIInChI=1S/C19H26NO6P/c1-6-24-19(22)16-11-20(17-10-8-7-9-15(17)18(16)21)12-27(23,25-13(2)3)26-14(4)5/h7-11,13-14H,6,12H2,1-5H3
InChIKeyMZTXHMPNYPFKFW-UHFFFAOYSA-N
MW395.39 g/mol
LogP4.18
Rot. Bonds8

About ethyl 1-[di(propan-2-yloxy)phosphorylmethyl]-4-oxoquinoline-3-carboxylate

ethyl 1-[di(propan-2-yloxy)phosphorylmethyl]-4-oxoquinoline-3-carboxylate (PubChem CID 62707271) has the molecular formula C19H26NO6P and a molecular weight of 395.39 g/mol. Its IUPAC name is ethyl 1-[di(propan-2-yloxy)phosphorylmethyl]-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[di(propan-2-yloxy)phosphorylmethyl]-4-oxoquinoline-3-carboxylate
PubChem CID62707271
Molecular FormulaC19H26NO6P
Molecular Weight395.39 g/mol
Exact Mass395.15
IUPAC Nameethyl 1-[di(propan-2-yloxy)phosphorylmethyl]-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(CP(=O)(OC(C)C)OC(C)C)c2ccccc2c1=O
InChIInChI=1S/C19H26NO6P/c1-6-24-19(22)16-11-20(17-10-8-7-9-15(17)18(16)21)12-27(23,25-13(2)3)26-14(4)5/h7-11,13-14H,6,12H2,1-5H3
InChIKeyMZTXHMPNYPFKFW-UHFFFAOYSA-N
XLogP4.18
TPSA83.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-(3-methylbutyl)-4-oxoquinoline-3-carboxylate
CID 11580110
ethyl 1-[(4-methoxycarbonylphenyl)methyl]-4-oxoquinoline-3-carboxylate
CID 122188100
ethyl 4-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]quinoline-3-carboxylate
CID 118585777
ethyl 1-[di(propan-2-yloxy)phosphorylmethyl]-4-oxopyridine-2-carboxylate
CID 101492809
ethane;ethyl 7-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxylate
CID 143904109
1-O-[2,2-bis(4-nitrophenyl)ethyl] 3-O-ethyl 4-oxoquinoline-1,3-dicarboxylate
CID 14261776
ethyl 5-oxo-2,6-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,7,9,11,13,15-heptaene-4-carboxylate
CID 165352312
ethyl 1-hexyl-4-sulfanylidenequinoline-3-carboxylate
CID 129111778
ethyl 1-[(1-bromonaphthalen-2-yl)methyl]-6-methyl-4-oxoquinoline-3-carboxylate
CID 138970467
dimethyl 5-[(1-ethyl-4-oxoquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate
CID 30131954
ethyl 1-ethyl-4-oxo-6-[(2-phenoxyacetyl)amino]quinoline-3-carboxylate
CID 39851086
ethyl 7-fluoro-1-[(3-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylate
CID 53418933

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[di(propan-2-yloxy)phosphorylmethyl]-4-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 1-[di(propan-2-yloxy)phosphorylmethyl]-4-oxoquinoline-3-carboxylate (CID 62707271) is ethyl 1-[di(propan-2-yloxy)phosphorylmethyl]-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-[di(propan-2-yloxy)phosphorylmethyl]-4-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 1-[di(propan-2-yloxy)phosphorylmethyl]-4-oxoquinoline-3-carboxylate is CCOC(=O)c1cn(CP(=O)(OC(C)C)OC(C)C)c2ccccc2c1=O.
What is the InChIKey of ethyl 1-[di(propan-2-yloxy)phosphorylmethyl]-4-oxoquinoline-3-carboxylate?
The InChIKey is MZTXHMPNYPFKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26NO6P/c1-6-24-19(22)16-11-20(17-10-8-7-9-15(17)18(16)21)12-27(23,25-13(2)3)26-14(4)5/h7-11,13-14H,6,12H2,1-5H3.
What are the key properties of ethyl 1-[di(propan-2-yloxy)phosphorylmethyl]-4-oxoquinoline-3-carboxylate?
ethyl 1-[di(propan-2-yloxy)phosphorylmethyl]-4-oxoquinoline-3-carboxylate has a molecular weight of 395.39 g/mol, XLogP of 4.18, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[di(propan-2-yloxy)phosphorylmethyl]-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 62707271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).