potassium;4-chloro-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;3-fluoro-4-nitro-1-oxidopyridin-1-ium;methane;2-methylpropan-2-olate;molecular hydrogen;3-morpholin-4-ylpropan-1-ol;3-(3-morpholin-4-ylpropoxy)pyridin-4-amine;4-[3-(4-nitro-1-oxidopyridin-1-ium-3-yl)oxypropyl]morpholine

C81H101Cl3F3KN16O15 — CID 159891355

IUPACpotassium;4-chloro-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;3-fluoro-4-nitro-1-oxidopyridin-1-ium;methane;2-methylpropan-2-olate;molecular hydrogen;3-morpholin-4-ylpropan-1-ol;3-(3-morpholin-4-ylpropoxy)pyridin-4-amine;4-[3-(4-nitro-1-oxidopyridin-1-ium-3-yl)oxypropyl]morpholine
SMILESC.CC(C)(C)[O-].Fc1ccc(Cl)cc1-c1cc(Cl)c2cccnc2n1.Fc1ccc(Cl)cc1-c1cc(Nc2ccncc2OCCCN2CCOCC2)c2cccnc2n1.Nc1ccncc1OCCCN1CCOCC1.O=[N+]([O-])c1cc[n+]([O-])cc1F.O=[N+]([O-])c1cc[n+]([O-])cc1OCCCN1CCOCC1.OCCCN1CCOCC1.[H][H].[K+]
InChIInChI=1S/C26H25ClFN5O2.C14H7Cl2FN2.C12H17N3O5.C12H19N3O2.C7H15NO2.C5H3FN2O3.C4H9O.CH4.K.H2/c27-18-4-5-21(28)20(15-18)24-16-23(19-3-1-7-30-26(19)32-24)31-22-6-8-29-17-25(22)35-12-2-9-33-10-13-34-14-11-33;15-8-3-4-12(17)10(6-8)13-7-11(16)9-2-1-5-18-14(9)19-13;16-14-4-2-11(15(17)18)12(10-14)20-7-1-3-13-5-8-19-9-6-13;13-11-2-3-14-10-12(11)17-7-1-4-15-5-8-16-9-6-15;9-5-1-2-8-3-6-10-7-4-8;6-4-3-7(9)2-1-5(4)8(10)11;1-4(2,3)5;;;/h1,3-8,15-17H,2,9-14H2,(H,29,30,31,32);1-7H;2,4,10H,1,3,5-9H2;2-3,10H,1,4-9H2,(H2,13,14);9H,1-7H2;1-3H;1-3H3;1H4;;1H/q;;;;;;-1;;+1;
InChIKeyNUUHBCBMSRMIQC-UHFFFAOYSA-N
MW1741.25 g/mol
LogP9.27
Rot. Bonds24

About potassium;4-chloro-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;3-fluoro-4-nitro-1-oxidopyridin-1-ium;methane;2-methylpropan-2-olate;molecular hydrogen;3-morpholin-4-ylpropan-1-ol;3-(3-morpholin-4-ylpropoxy)pyridin-4-amine;4-[3-(4-nitro-1-oxidopyridin-1-ium-3-yl)oxypropyl]morpholine

potassium;4-chloro-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;3-fluoro-4-nitro-1-oxidopyridin-1-ium;methane;2-methylpropan-2-olate;molecular hydrogen;3-morpholin-4-ylpropan-1-ol;3-(3-morpholin-4-ylpropoxy)pyridin-4-amine;4-[3-(4-nitro-1-oxidopyridin-1-ium-3-yl)oxypropyl]morpholine (PubChem CID 159891355) has the molecular formula C81H101Cl3F3KN16O15 and a molecular weight of 1741.25 g/mol. Its IUPAC name is potassium;4-chloro-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;3-fluoro-4-nitro-1-oxidopyridin-1-ium;methane;2-methylpropan-2-olate;molecular hydrogen;3-morpholin-4-ylpropan-1-ol;3-(3-morpholin-4-ylpropoxy)pyridin-4-amine;4-[3-(4-nitro-1-oxidopyridin-1-ium-3-yl)oxypropyl]morpholine.

Molecular Properties

Compound Namepotassium;4-chloro-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;3-fluoro-4-nitro-1-oxidopyridin-1-ium;methane;2-methylpropan-2-olate;molecular hydrogen;3-morpholin-4-ylpropan-1-ol;3-(3-morpholin-4-ylpropoxy)pyridin-4-amine;4-[3-(4-nitro-1-oxidopyridin-1-ium-3-yl)oxypropyl]morpholine
PubChem CID159891355
Molecular FormulaC81H101Cl3F3KN16O15
Molecular Weight1741.25 g/mol
Exact Mass1738.63
IUPAC Namepotassium;4-chloro-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;3-fluoro-4-nitro-1-oxidopyridin-1-ium;methane;2-methylpropan-2-olate;molecular hydrogen;3-morpholin-4-ylpropan-1-ol;3-(3-morpholin-4-ylpropoxy)pyridin-4-amine;4-[3-(4-nitro-1-oxidopyridin-1-ium-3-yl)oxypropyl]morpholine
SMILESC.CC(C)(C)[O-].Fc1ccc(Cl)cc1-c1cc(Cl)c2cccnc2n1.Fc1ccc(Cl)cc1-c1cc(Nc2ccncc2OCCCN2CCOCC2)c2cccnc2n1.Nc1ccncc1OCCCN1CCOCC1.O=[N+]([O-])c1cc[n+]([O-])cc1F.O=[N+]([O-])c1cc[n+]([O-])cc1OCCCN1CCOCC1.OCCCN1CCOCC1.[H][H].[K+]
InChIInChI=1S/C26H25ClFN5O2.C14H7Cl2FN2.C12H17N3O5.C12H19N3O2.C7H15NO2.C5H3FN2O3.C4H9O.CH4.K.H2/c27-18-4-5-21(28)20(15-18)24-16-23(19-3-1-7-30-26(19)32-24)31-22-6-8-29-17-25(22)35-12-2-9-33-10-13-34-14-11-33;15-8-3-4-12(17)10(6-8)13-7-11(16)9-2-1-5-18-14(9)19-13;16-14-4-2-11(15(17)18)12(10-14)20-7-1-3-13-5-8-19-9-6-13;13-11-2-3-14-10-12(11)17-7-1-4-15-5-8-16-9-6-15;9-5-1-2-8-3-6-10-7-4-8;6-4-3-7(9)2-1-5(4)8(10)11;1-4(2,3)5;;;/h1,3-8,15-17H,2,9-14H2,(H,29,30,31,32);1-7H;2,4,10H,1,3,5-9H2;2-3,10H,1,4-9H2,(H2,13,14);9H,1-7H2;1-3H;1-3H3;1H4;;1H/q;;;;;;-1;;+1;
InChIKeyNUUHBCBMSRMIQC-UHFFFAOYSA-N
XLogP9.27
TPSA376.41 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds24
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001741.25
LogP ≤ 59.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze potassium;4-chloro-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;3-fluoro-4-nitro-1-oxidopyridin-1-ium;methane;2-methylpropan-2-olate;molecular hydrogen;3-morpholin-4-ylpropan-1-ol;3-(3-morpholin-4-ylpropoxy)pyridin-4-amine;4-[3-(4-nitro-1-oxidopyridin-1-ium-3-yl)oxypropyl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;4-[2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine;4-[2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine
CID 159146253
methyl 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-3-carboxylate
CID 53372324
2-[[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]oxy]ethanol;2-(3-chlorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2,5-difluorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;N-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine
CID 159917775
2-N-(4-chlorophenyl)-4-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4-diamine
CID 21080855
2-(5-chloro-2-fluorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine;[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]methanol;4-N-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyridine-3,4-diamine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine;2-pyridin-2-yl-N-pyridin-4-yl-1,8-naphthyridin-4-amine
CID 161181644
4-[3-(2-nitrophenoxy)propyl]morpholine
CID 2232477
2-(3-morpholin-4-ylpropoxy)-6-nitrobenzoic acid
CID 175238425
4-N-[4-[(7-chloroquinolin-4-yl)amino]phenyl]-2-N-(4-fluorophenyl)-6-N-(3-morpholin-4-ylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 90666697
N-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide
CID 53372592
5-(5-amino-2,6-naphthyridin-1-yl)-7-(2-fluorophenyl)-1,8-naphthyridin-2-amine;4-[2-[[4-[2-(2-fluoro-5-methylphenyl)-1,8-naphthyridin-4-yl]-1,7-naphthyridin-2-yl]oxy]ethyl]morpholine;4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-1,7-naphthyridin-8-amine;2-(2-fluorophenyl)-4-(1,7-naphthyridin-4-yl)-1,8-naphthyridine
CID 158398335
4-(3-morpholin-4-ylpropoxy)-2-nitroaniline
CID 142691529
[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one;ethane-1,2-diol;2-(2-hydroxyethyl)-4-iodo-2,7-naphthyridin-1-one;4-iodo-2H-2,7-naphthyridin-1-one;oxolane
CID 158323045

Frequently Asked Questions

What is the IUPAC name of potassium;4-chloro-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;3-fluoro-4-nitro-1-oxidopyridin-1-ium;methane;2-methylpropan-2-olate;molecular hydrogen;3-morpholin-4-ylpropan-1-ol;3-(3-morpholin-4-ylpropoxy)pyridin-4-amine;4-[3-(4-nitro-1-oxidopyridin-1-ium-3-yl)oxypropyl]morpholine?
The IUPAC name of potassium;4-chloro-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;3-fluoro-4-nitro-1-oxidopyridin-1-ium;methane;2-methylpropan-2-olate;molecular hydrogen;3-morpholin-4-ylpropan-1-ol;3-(3-morpholin-4-ylpropoxy)pyridin-4-amine;4-[3-(4-nitro-1-oxidopyridin-1-ium-3-yl)oxypropyl]morpholine (CID 159891355) is potassium;4-chloro-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;3-fluoro-4-nitro-1-oxidopyridin-1-ium;methane;2-methylpropan-2-olate;molecular hydrogen;3-morpholin-4-ylpropan-1-ol;3-(3-morpholin-4-ylpropoxy)pyridin-4-amine;4-[3-(4-nitro-1-oxidopyridin-1-ium-3-yl)oxypropyl]morpholine.
What is the SMILES notation for potassium;4-chloro-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;3-fluoro-4-nitro-1-oxidopyridin-1-ium;methane;2-methylpropan-2-olate;molecular hydrogen;3-morpholin-4-ylpropan-1-ol;3-(3-morpholin-4-ylpropoxy)pyridin-4-amine;4-[3-(4-nitro-1-oxidopyridin-1-ium-3-yl)oxypropyl]morpholine?
The canonical SMILES for potassium;4-chloro-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;3-fluoro-4-nitro-1-oxidopyridin-1-ium;methane;2-methylpropan-2-olate;molecular hydrogen;3-morpholin-4-ylpropan-1-ol;3-(3-morpholin-4-ylpropoxy)pyridin-4-amine;4-[3-(4-nitro-1-oxidopyridin-1-ium-3-yl)oxypropyl]morpholine is C.CC(C)(C)[O-].Fc1ccc(Cl)cc1-c1cc(Cl)c2cccnc2n1.Fc1ccc(Cl)cc1-c1cc(Nc2ccncc2OCCCN2CCOCC2)c2cccnc2n1.Nc1ccncc1OCCCN1CCOCC1.O=[N+]([O-])c1cc[n+]([O-])cc1F.O=[N+]([O-])c1cc[n+]([O-])cc1OCCCN1CCOCC1.OCCCN1CCOCC1.[H][H].[K+].
What is the InChIKey of potassium;4-chloro-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;3-fluoro-4-nitro-1-oxidopyridin-1-ium;methane;2-methylpropan-2-olate;molecular hydrogen;3-morpholin-4-ylpropan-1-ol;3-(3-morpholin-4-ylpropoxy)pyridin-4-amine;4-[3-(4-nitro-1-oxidopyridin-1-ium-3-yl)oxypropyl]morpholine?
The InChIKey is NUUHBCBMSRMIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClFN5O2.C14H7Cl2FN2.C12H17N3O5.C12H19N3O2.C7H15NO2.C5H3FN2O3.C4H9O.CH4.K.H2/c27-18-4-5-21(28)20(15-18)24-16-23(19-3-1-7-30-26(19)32-24)31-22-6-8-29-17-25(22)35-12-2-9-33-10-13-34-14-11-33;15-8-3-4-12(17)10(6-8)13-7-11(16)9-2-1-5-18-14(9)19-13;16-14-4-2-11(15(17)18)12(10-14)20-7-1-3-13-5-8-19-9-6-13;13-11-2-3-14-10-12(11)17-7-1-4-15-5-8-16-9-6-15;9-5-1-2-8-3-6-10-7-4-8;6-4-3-7(9)2-1-5(4)8(10)11;1-4(2,3)5;;;/h1,3-8,15-17H,2,9-14H2,(H,29,30,31,32);1-7H;2,4,10H,1,3,5-9H2;2-3,10H,1,4-9H2,(H2,13,14);9H,1-7H2;1-3H;1-3H3;1H4;;1H/q;;;;;;-1;;+1;.
What are the key properties of potassium;4-chloro-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;3-fluoro-4-nitro-1-oxidopyridin-1-ium;methane;2-methylpropan-2-olate;molecular hydrogen;3-morpholin-4-ylpropan-1-ol;3-(3-morpholin-4-ylpropoxy)pyridin-4-amine;4-[3-(4-nitro-1-oxidopyridin-1-ium-3-yl)oxypropyl]morpholine?
potassium;4-chloro-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;3-fluoro-4-nitro-1-oxidopyridin-1-ium;methane;2-methylpropan-2-olate;molecular hydrogen;3-morpholin-4-ylpropan-1-ol;3-(3-morpholin-4-ylpropoxy)pyridin-4-amine;4-[3-(4-nitro-1-oxidopyridin-1-ium-3-yl)oxypropyl]morpholine has a molecular weight of 1741.25 g/mol, XLogP of 9.27, 24 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4-chloro-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;3-fluoro-4-nitro-1-oxidopyridin-1-ium;methane;2-methylpropan-2-olate;molecular hydrogen;3-morpholin-4-ylpropan-1-ol;3-(3-morpholin-4-ylpropoxy)pyridin-4-amine;4-[3-(4-nitro-1-oxidopyridin-1-ium-3-yl)oxypropyl]morpholine is sourced from PubChem (CID 159891355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).