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

C116H152F5N5O27P4 — CID 159170813

IUPACditert-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
SMILESCCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3F)cn(COP(=O)(OC(C)(C)C)OC(C)(C)C)c12.CCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)cn(COP(=O)(OC(C)(C)C)OC(C)(C)C)c12.COc1ccc(-c2cn(COP(=O)(OC(C)(C)C)OC(C)(C)C)c3c(N(C)C4CCCCC4)ccc(F)c3c2=O)cc1.COc1ccc(-c2cn(COP(=O)(OC(C)(C)C)OC(C)(C)C)c3c(OCC4CC4)ccc(F)c3c2=O)cc1
InChIInChI=1S/C32H44FN2O6P.C29H37FNO7P.C28H36F2NO7P.C27H35FNO7P/c1-31(2,3)40-42(37,41-32(4,5)6)39-21-35-20-25(22-14-16-24(38-8)17-15-22)30(36)28-26(33)18-19-27(29(28)35)34(7)23-12-10-9-11-13-23;1-28(2,3)37-39(33,38-29(4,5)6)36-18-31-16-22(20-10-12-21(34-7)13-11-20)27(32)25-23(30)14-15-24(26(25)31)35-17-19-8-9-19;1-9-14-35-23-13-12-21(29)24-25(23)31(17-36-39(33,37-27(2,3)4)38-28(5,6)7)16-20(26(24)32)19-11-10-18(34-8)15-22(19)30;1-9-33-22-15-14-21(28)23-24(22)29(16-20(25(23)30)18-10-12-19(32-8)13-11-18)17-34-37(31,35-26(2,3)4)36-27(5,6)7/h14-20,23H,9-13,21H2,1-8H3;10-16,19H,8-9,17-18H2,1-7H3;10-13,15-16H,9,14,17H2,1-8H3;10-16H,9,17H2,1-8H3
InChIKeyKLQWZRCZAZKNRV-UHFFFAOYSA-N
MW2267.39 g/mol
LogP30.00
Rot. Bonds38

About 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

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 (PubChem CID 159170813) has the molecular formula C116H152F5N5O27P4 and a molecular weight of 2267.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameditert-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
PubChem CID159170813
Molecular FormulaC116H152F5N5O27P4
Molecular Weight2267.39 g/mol
Exact Mass2265.95
IUPAC Nameditert-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
SMILESCCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3F)cn(COP(=O)(OC(C)(C)C)OC(C)(C)C)c12.CCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)cn(COP(=O)(OC(C)(C)C)OC(C)(C)C)c12.COc1ccc(-c2cn(COP(=O)(OC(C)(C)C)OC(C)(C)C)c3c(N(C)C4CCCCC4)ccc(F)c3c2=O)cc1.COc1ccc(-c2cn(COP(=O)(OC(C)(C)C)OC(C)(C)C)c3c(OCC4CC4)ccc(F)c3c2=O)cc1
InChIInChI=1S/C32H44FN2O6P.C29H37FNO7P.C28H36F2NO7P.C27H35FNO7P/c1-31(2,3)40-42(37,41-32(4,5)6)39-21-35-20-25(22-14-16-24(38-8)17-15-22)30(36)28-26(33)18-19-27(29(28)35)34(7)23-12-10-9-11-13-23;1-28(2,3)37-39(33,38-29(4,5)6)36-18-31-16-22(20-10-12-21(34-7)13-11-20)27(32)25-23(30)14-15-24(26(25)31)35-17-19-8-9-19;1-9-14-35-23-13-12-21(29)24-25(23)31(17-36-39(33,37-27(2,3)4)38-28(5,6)7)16-20(26(24)32)19-11-10-18(34-8)15-22(19)30;1-9-33-22-15-14-21(28)23-24(22)29(16-20(25(23)30)18-10-12-19(32-8)13-11-18)17-34-37(31,35-26(2,3)4)36-27(5,6)7/h14-20,23H,9-13,21H2,1-8H3;10-16,19H,8-9,17-18H2,1-7H3;10-13,15-16H,9,14,17H2,1-8H3;10-16H,9,17H2,1-8H3
InChIKeyKLQWZRCZAZKNRV-UHFFFAOYSA-N
XLogP30.00
TPSA334.89 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds38
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002267.39
LogP ≤ 530.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 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 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

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
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
tris[[8-(cyclopropylmethoxy)-5-fluoro-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]methyl] phosphate
CID 140570251
disodium;[8-(cyclopropylmethoxy)-5-fluoro-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]methyl phosphate
CID 67427035
ditert-butyl [5-fluoro-3-(1-methylpyrazol-4-yl)-4-oxo-8-propoxyquinolin-1-yl]methyl phosphate
CID 58492564
[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]methyl 4-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]benzoate
CID 56598860
[8-ethoxy-5-fluoro-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]methyl dihydrogen phosphate
CID 58492524
(3-tert-butyl-2,2-dimethylhexan-3-yl) [3-(2,4-dimethoxyphenyl)-8-ethoxy-5-fluoro-4-oxoquinolin-1-yl]methyl hydrogen phosphate
CID 152701451
ditert-butyl [5-fluoro-3-(2-methyl-1,5-dihydropyrazol-4-yl)-4-oxo-8-propoxyquinolin-1-yl]methyl phosphate
CID 91344744
[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]methyl 2-ditert-butylphosphoryloxyacetate
CID 141387471
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-phosphonooxyacetate
CID 58492511

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3F)cn(COP(=O)(OC(C)(C)C)OC(C)(C)C)c12.CCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)cn(COP(=O)(OC(C)(C)C)OC(C)(C)C)c12.COc1ccc(-c2cn(COP(=O)(OC(C)(C)C)OC(C)(C)C)c3c(N(C)C4CCCCC4)ccc(F)c3c2=O)cc1.COc1ccc(-c2cn(COP(=O)(OC(C)(C)C)OC(C)(C)C)c3c(OCC4CC4)ccc(F)c3c2=O)cc1.
What is the InChIKey of 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?
The InChIKey is KLQWZRCZAZKNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44FN2O6P.C29H37FNO7P.C28H36F2NO7P.C27H35FNO7P/c1-31(2,3)40-42(37,41-32(4,5)6)39-21-35-20-25(22-14-16-24(38-8)17-15-22)30(36)28-26(33)18-19-27(29(28)35)34(7)23-12-10-9-11-13-23;1-28(2,3)37-39(33,38-29(4,5)6)36-18-31-16-22(20-10-12-21(34-7)13-11-20)27(32)25-23(30)14-15-24(26(25)31)35-17-19-8-9-19;1-9-14-35-23-13-12-21(29)24-25(23)31(17-36-39(33,37-27(2,3)4)38-28(5,6)7)16-20(26(24)32)19-11-10-18(34-8)15-22(19)30;1-9-33-22-15-14-21(28)23-24(22)29(16-20(25(23)30)18-10-12-19(32-8)13-11-18)17-34-37(31,35-26(2,3)4)36-27(5,6)7/h14-20,23H,9-13,21H2,1-8H3;10-16,19H,8-9,17-18H2,1-7H3;10-13,15-16H,9,14,17H2,1-8H3;10-16H,9,17H2,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 2267.39 g/mol, XLogP of 30.00, 38 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159170813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).