N-[(4-chlorophenyl)methyl]-2-(dimethylamino)-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxo-2,3-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-methyl-7-oxo-2-propan-2-ylimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;5,6-diamino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;dimethylaminomethylidene(dimethyl)azanium;1,1,3,3-tetramethylurea;chloride

C84H102Cl4F3N23O10 — CID 159261339

About N-[(4-chlorophenyl)methyl]-2-(dimethylamino)-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxo-2,3-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-methyl-7-oxo-2-propan-2-ylimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;5,6-diamino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;dimethylaminomethylidene(dimethyl)azanium;1,1,3,3-tetramethylurea;chloride

N-[(4-chlorophenyl)methyl]-2-(dimethylamino)-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxo-2,3-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-methyl-7-oxo-2-propan-2-ylimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;5,6-diamino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;dimethylaminomethylidene(dimethyl)azanium;1,1,3,3-tetramethylurea;chloride (PubChem CID 159261339) has the molecular formula C84H102Cl4F3N23O10 and a molecular weight of 1792.70 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(dimethylamino)-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxo-2,3-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-methyl-7-oxo-2-propan-2-ylimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;5,6-diamino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;dimethylaminomethylidene(dimethyl)azanium;1,1,3,3-tetramethylurea;chloride.

Molecular Properties

• Compound Name: N-[(4-chlorophenyl)methyl]-2-(dimethylamino)-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxo-2,3-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-methyl-7-oxo-2-propan-2-ylimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;5,6-diamino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;dimethylaminomethylidene(dimethyl)azanium;1,1,3,3-tetramethylurea;chloride
• PubChem CID: 159261339
• Molecular Formula: C84H102Cl4F3N23O10
• Molecular Weight: 1792.70 g/mol
• Exact Mass: 1789.69
• IUPAC Name: N-[(4-chlorophenyl)methyl]-2-(dimethylamino)-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxo-2,3-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-methyl-7-oxo-2-propan-2-ylimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;5,6-diamino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;dimethylaminomethylidene(dimethyl)azanium;1,1,3,3-tetramethylurea;chloride
• SMILES: CC(C)c1nc2c3cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n(CC(=O)N4CC(C)(F)C4)c3ncc2n1C.CC1(F)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(N)c(N)cnc32)C1.CN(C)C(=O)N(C)C.CN(C)C1Nc2cnc3c(cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n3CC(=O)N3CC(C)(F)C3)c2N1.CN(C)C=[N+](C)C.[Cl-]
• InChI: InChI=1S/C27H28ClFN6O3.C25H27ClFN7O3.C22H22ClFN6O3.C5H12N2O.C5H13N2.ClH/c1-15(2)23-32-22-18-9-19(25(37)31-10-16-5-7-17(28)8-6-16)26(38)35(24(18)30-11-20(22)33(23)4)12-21(36)34-13-27(3,29)14-34;1-25(27)12-33(13-25)19(35)11-34-21-16(20-18(10-28-21)30-24(31-20)32(2)3)8-17(23(34)37)22(36)29-9-14-4-6-15(26)7-5-14;1-22(24)10-29(11-22)17(31)9-30-19-14(18(26)16(25)8-27-19)6-15(21(30)33)20(32)28-7-12-2-4-13(23)5-3-12;1-6(2)5(8)7(3)4;1-6(2)5-7(3)4;/h5-9,11,15H,10,12-14H2,1-4H3,(H,31,37);4-8,10,24,30-31H,9,11-13H2,1-3H3,(H,29,36);2-6,8H,7,9-11,25H2,1H3,(H2,26,27)(H,28,32);1-4H3;5H,1-4H3;1H/q;;;;+1;/p-1
• InChIKey: APUSVMBVAZSZGT-UHFFFAOYSA-M
• XLogP: 4.59
• TPSA: 379.86 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1792.70
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(dimethylamino)-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxo-2,3-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-methyl-7-oxo-2-propan-2-ylimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;5,6-diamino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;dimethylaminomethylidene(dimethyl)azanium;1,1,3,3-tetramethylurea;chloride?

The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(dimethylamino)-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxo-2,3-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-methyl-7-oxo-2-propan-2-ylimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;5,6-diamino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;dimethylaminomethylidene(dimethyl)azanium;1,1,3,3-tetramethylurea;chloride (CID 159261339) is N-[(4-chlorophenyl)methyl]-2-(dimethylamino)-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxo-2,3-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-methyl-7-oxo-2-propan-2-ylimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;5,6-diamino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;dimethylaminomethylidene(dimethyl)azanium;1,1,3,3-tetramethylurea;chloride.

What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(dimethylamino)-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxo-2,3-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-methyl-7-oxo-2-propan-2-ylimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;5,6-diamino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;dimethylaminomethylidene(dimethyl)azanium;1,1,3,3-tetramethylurea;chloride?

The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(dimethylamino)-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxo-2,3-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-methyl-7-oxo-2-propan-2-ylimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;5,6-diamino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;dimethylaminomethylidene(dimethyl)azanium;1,1,3,3-tetramethylurea;chloride is CC(C)c1nc2c3cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n(CC(=O)N4CC(C)(F)C4)c3ncc2n1C.CC1(F)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(N)c(N)cnc32)C1.CN(C)C(=O)N(C)C.CN(C)C1Nc2cnc3c(cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n3CC(=O)N3CC(C)(F)C3)c2N1.CN(C)C=[N+](C)C.[Cl-].

What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(dimethylamino)-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxo-2,3-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-methyl-7-oxo-2-propan-2-ylimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;5,6-diamino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;dimethylaminomethylidene(dimethyl)azanium;1,1,3,3-tetramethylurea;chloride?

The InChIKey is APUSVMBVAZSZGT-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H28ClFN6O3.C25H27ClFN7O3.C22H22ClFN6O3.C5H12N2O.C5H13N2.ClH/c1-15(2)23-32-22-18-9-19(25(37)31-10-16-5-7-17(28)8-6-16)26(38)35(24(18)30-11-20(22)33(23)4)12-21(36)34-13-27(3,29)14-34;1-25(27)12-33(13-25)19(35)11-34-21-16(20-18(10-28-21)30-24(31-20)32(2)3)8-17(23(34)37)22(36)29-9-14-4-6-15(26)7-5-14;1-22(24)10-29(11-22)17(31)9-30-19-14(18(26)16(25)8-27-19)6-15(21(30)33)20(32)28-7-12-2-4-13(23)5-3-12;1-6(2)5(8)7(3)4;1-6(2)5-7(3)4;/h5-9,11,15H,10,12-14H2,1-4H3,(H,31,37);4-8,10,24,30-31H,9,11-13H2,1-3H3,(H,29,36);2-6,8H,7,9-11,25H2,1H3,(H2,26,27)(H,28,32);1-4H3;5H,1-4H3;1H/q;;;;+1;/p-1.

What are the key properties of N-[(4-chlorophenyl)methyl]-2-(dimethylamino)-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxo-2,3-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-methyl-7-oxo-2-propan-2-ylimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;5,6-diamino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;dimethylaminomethylidene(dimethyl)azanium;1,1,3,3-tetramethylurea;chloride?

N-[(4-chlorophenyl)methyl]-2-(dimethylamino)-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxo-2,3-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-methyl-7-oxo-2-propan-2-ylimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;5,6-diamino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;dimethylaminomethylidene(dimethyl)azanium;1,1,3,3-tetramethylurea;chloride has a molecular weight of 1792.70 g/mol, XLogP of 4.59, 18 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chlorophenyl)methyl]-2-(dimethylamino)-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxo-2,3-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-methyl-7-oxo-2-propan-2-ylimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;5,6-diamino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;dimethylaminomethylidene(dimethyl)azanium;1,1,3,3-tetramethylurea;chloride is sourced from PubChem (CID 159261339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).