disodium;[8-(cyclopropylmethoxy)-5-fluoro-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]methyl phosphate

C21H19FNNa2O7P — CID 67427035

IUPACdisodium;[8-(cyclopropylmethoxy)-5-fluoro-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]methyl phosphate
SMILESCOc1ccc(-c2cn(COP(=O)([O-])[O-])c3c(OCC4CC4)ccc(F)c3c2=O)cc1.[Na+].[Na+]
InChIInChI=1S/C21H21FNO7P.2Na/c1-28-15-6-4-14(5-7-15)16-10-23(12-30-31(25,26)27)20-18(29-11-13-2-3-13)9-8-17(22)19(20)21(16)24;;/h4-10,13H,2-3,11-12H2,1H3,(H2,25,26,27);;/q;2*+1/p-2
InChIKeyPZRVNWYJKXECJB-UHFFFAOYSA-L
MW493.34 g/mol
LogP-3.58
Rot. Bonds8

About disodium;[8-(cyclopropylmethoxy)-5-fluoro-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]methyl phosphate

disodium;[8-(cyclopropylmethoxy)-5-fluoro-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]methyl phosphate (PubChem CID 67427035) has the molecular formula C21H19FNNa2O7P and a molecular weight of 493.34 g/mol. Its IUPAC name is disodium;[8-(cyclopropylmethoxy)-5-fluoro-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]methyl phosphate.

Molecular Properties

Compound Namedisodium;[8-(cyclopropylmethoxy)-5-fluoro-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]methyl phosphate
PubChem CID67427035
Molecular FormulaC21H19FNNa2O7P
Molecular Weight493.34 g/mol
Exact Mass493.07
IUPAC Namedisodium;[8-(cyclopropylmethoxy)-5-fluoro-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]methyl phosphate
SMILESCOc1ccc(-c2cn(COP(=O)([O-])[O-])c3c(OCC4CC4)ccc(F)c3c2=O)cc1.[Na+].[Na+]
InChIInChI=1S/C21H21FNO7P.2Na/c1-28-15-6-4-14(5-7-15)16-10-23(12-30-31(25,26)27)20-18(29-11-13-2-3-13)9-8-17(22)19(20)21(16)24;;/h4-10,13H,2-3,11-12H2,1H3,(H2,25,26,27);;/q;2*+1/p-2
InChIKeyPZRVNWYJKXECJB-UHFFFAOYSA-L
XLogP-3.58
TPSA112.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.34
LogP ≤ 5-3.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze disodium;[8-(cyclopropylmethoxy)-5-fluoro-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]methyl phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tris[[8-(cyclopropylmethoxy)-5-fluoro-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]methyl] phosphate
CID 140570251
dodecasodium;[8-(cyclobutylmethoxy)-5-fluoro-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]methyl phosphate;[8-(cyclopropylmethoxy)-5-fluoro-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]methyl phosphate;[3-(2,4-dimethoxyphenyl)-8-ethoxy-5-fluoro-4-oxoquinolin-1-yl]methyl phosphate;[8-ethoxy-5-fluoro-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]methyl phosphate;[3-(4-ethoxyphenyl)-5-fluoro-4-oxo-8-propoxyquinolin-1-yl]methyl phosphate;[5-fluoro-3-(2-fluoro-4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]methyl phosphate
CID 160810117
[8-ethoxy-5-fluoro-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]methyl dihydrogen phosphate
CID 58492524
8-(cyclobutylmethoxy)-3-(4-ethylphenyl)-5-fluoro-1-[(methanidyl-methylidene-oxido-λ5-phosphanyl)oxymethyl]quinolin-4-one
CID 163587319
ditert-butyl [8-(cyclobutylmethoxy)-5-fluoro-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]methyl phosphate;ditert-butyl [8-(cyclopropylmethoxy)-5-fluoro-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]methyl phosphate;ditert-butyl [5,6-difluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]methyl phosphate;ditert-butyl [8-ethoxy-5-fluoro-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]methyl phosphate;ditert-butyl [5-fluoro-3-(2-fluoro-4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]methyl phosphate
CID 159794607
ditert-butyl [8-[cyclohexyl(methyl)amino]-5-fluoro-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]methyl phosphate;ditert-butyl [8-(cyclopropylmethoxy)-5-fluoro-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]methyl phosphate;ditert-butyl [8-ethoxy-5-fluoro-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]methyl phosphate;ditert-butyl [5-fluoro-3-(2-fluoro-4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]methyl phosphate
CID 159170813
[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]methyl 2-phosphonooxyacetate
CID 58492511
1-(2-ethoxyethyl)-5-fluoro-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one
CID 66917324
[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]methyl 2-ditert-butylphosphoryloxyacetate
CID 141387471
5-fluoro-3-(4-methoxyphenyl)-1-(2-oxo-3-piperidin-4-ylpropyl)-8-propoxyquinolin-4-one
CID 58492446
5-fluoro-3-(4-methoxyphenyl)-1-(2-phenylmethoxyethyl)-8-propoxyquinolin-4-one
CID 151128827
N-[3-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]propyl]acetamide
CID 154461103

Frequently Asked Questions

What is the IUPAC name of disodium;[8-(cyclopropylmethoxy)-5-fluoro-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]methyl phosphate?
The IUPAC name of disodium;[8-(cyclopropylmethoxy)-5-fluoro-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]methyl phosphate (CID 67427035) is disodium;[8-(cyclopropylmethoxy)-5-fluoro-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]methyl phosphate.
What is the SMILES notation for disodium;[8-(cyclopropylmethoxy)-5-fluoro-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]methyl phosphate?
The canonical SMILES for disodium;[8-(cyclopropylmethoxy)-5-fluoro-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]methyl phosphate is COc1ccc(-c2cn(COP(=O)([O-])[O-])c3c(OCC4CC4)ccc(F)c3c2=O)cc1.[Na+].[Na+].
What is the InChIKey of disodium;[8-(cyclopropylmethoxy)-5-fluoro-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]methyl phosphate?
The InChIKey is PZRVNWYJKXECJB-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H21FNO7P.2Na/c1-28-15-6-4-14(5-7-15)16-10-23(12-30-31(25,26)27)20-18(29-11-13-2-3-13)9-8-17(22)19(20)21(16)24;;/h4-10,13H,2-3,11-12H2,1H3,(H2,25,26,27);;/q;2*+1/p-2.
What are the key properties of disodium;[8-(cyclopropylmethoxy)-5-fluoro-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]methyl phosphate?
disodium;[8-(cyclopropylmethoxy)-5-fluoro-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]methyl phosphate has a molecular weight of 493.34 g/mol, XLogP of -3.58, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;[8-(cyclopropylmethoxy)-5-fluoro-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]methyl phosphate is sourced from PubChem (CID 67427035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).