10a-(4-chlorophenyl)-1-(cyclopenta-1,4-diene-1-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(cyclopenta-1,4-diene-1-carbonyl)-9-oxido-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-9-ium-5-one;10a-(4-chlorophenyl)-5-oxo-N-(2-phenylethyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridine-1-carboxamide;10a-(4-chlorophenyl)-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;1-(furan-3-carbonyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one

C113H95Cl4N17O13 — CID 161348779

About 10a-(4-chlorophenyl)-1-(cyclopenta-1,4-diene-1-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(cyclopenta-1,4-diene-1-carbonyl)-9-oxido-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-9-ium-5-one;10a-(4-chlorophenyl)-5-oxo-N-(2-phenylethyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridine-1-carboxamide;10a-(4-chlorophenyl)-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;1-(furan-3-carbonyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one

10a-(4-chlorophenyl)-1-(cyclopenta-1,4-diene-1-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(cyclopenta-1,4-diene-1-carbonyl)-9-oxido-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-9-ium-5-one;10a-(4-chlorophenyl)-5-oxo-N-(2-phenylethyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridine-1-carboxamide;10a-(4-chlorophenyl)-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;1-(furan-3-carbonyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one (PubChem CID 161348779) has the molecular formula C113H95Cl4N17O13 and a molecular weight of 2040.92 g/mol. Its IUPAC name is 10a-(4-chlorophenyl)-1-(cyclopenta-1,4-diene-1-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(cyclopenta-1,4-diene-1-carbonyl)-9-oxido-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-9-ium-5-one;10a-(4-chlorophenyl)-5-oxo-N-(2-phenylethyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridine-1-carboxamide;10a-(4-chlorophenyl)-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;1-(furan-3-carbonyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one.

Molecular Properties

• Compound Name: 10a-(4-chlorophenyl)-1-(cyclopenta-1,4-diene-1-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(cyclopenta-1,4-diene-1-carbonyl)-9-oxido-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-9-ium-5-one;10a-(4-chlorophenyl)-5-oxo-N-(2-phenylethyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridine-1-carboxamide;10a-(4-chlorophenyl)-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;1-(furan-3-carbonyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one
• PubChem CID: 161348779
• Molecular Formula: C113H95Cl4N17O13
• Molecular Weight: 2040.92 g/mol
• Exact Mass: 2037.60
• IUPAC Name: 10a-(4-chlorophenyl)-1-(cyclopenta-1,4-diene-1-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(cyclopenta-1,4-diene-1-carbonyl)-9-oxido-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-9-ium-5-one;10a-(4-chlorophenyl)-5-oxo-N-(2-phenylethyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridine-1-carboxamide;10a-(4-chlorophenyl)-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;1-(furan-3-carbonyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one
• SMILES: COc1ccc(C23Cc4ncccc4C(=O)N2CCN3C(=O)c2ccoc2)cc1.O=C(C1=CCC=C1)N1CCN2C(=O)c3ccc[n+]([O-])c3CC12c1ccc(Cl)cc1.O=C(C1=CCC=C1)N1CCN2C(=O)c3cccnc3CC12c1ccc(Cl)cc1.O=C(NCCc1ccccc1)N1CCN2C(=O)c3cccnc3CC12c1ccc(Cl)cc1.O=C(c1cccnc1)N1CCN2C(=O)c3cccnc3CC12c1ccc(Cl)cc1
• InChI: InChI=1S/C25H23ClN4O2.C22H17ClN4O2.C22H18ClN3O3.C22H18ClN3O2.C22H19N3O4/c26-20-10-8-19(9-11-20)25-17-22-21(7-4-13-27-22)23(31)29(25)15-16-30(25)24(32)28-14-12-18-5-2-1-3-6-18;23-17-7-5-16(6-8-17)22-13-19-18(4-2-10-25-19)21(29)27(22)12-11-26(22)20(28)15-3-1-9-24-14-15;23-17-9-7-16(8-10-17)22-14-19-18(6-3-11-26(19)29)21(28)25(22)13-12-24(22)20(27)15-4-1-2-5-15;23-17-9-7-16(8-10-17)22-14-19-18(6-3-11-24-19)21(28)26(22)13-12-25(22)20(27)15-4-1-2-5-15;1-28-17-6-4-16(5-7-17)22-13-19-18(3-2-9-23-19)21(27)25(22)11-10-24(22)20(26)15-8-12-29-14-15/h1-11,13H,12,14-17H2,(H,28,32);1-10,14H,11-13H2;1,3-11H,2,12-14H2;1,3-11H,2,12-14H2;2-9,12,14H,10-11,13H2,1H3
• InChIKey: VNQUHJFLUAWTKM-UHFFFAOYSA-N
• XLogP: 15.55
• TPSA: 328.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2040.92
LogP ≤ 5	15.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10a-(4-chlorophenyl)-1-(cyclopenta-1,4-diene-1-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(cyclopenta-1,4-diene-1-carbonyl)-9-oxido-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-9-ium-5-one;10a-(4-chlorophenyl)-5-oxo-N-(2-phenylethyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridine-1-carboxamide;10a-(4-chlorophenyl)-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;1-(furan-3-carbonyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one?

The IUPAC name of 10a-(4-chlorophenyl)-1-(cyclopenta-1,4-diene-1-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(cyclopenta-1,4-diene-1-carbonyl)-9-oxido-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-9-ium-5-one;10a-(4-chlorophenyl)-5-oxo-N-(2-phenylethyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridine-1-carboxamide;10a-(4-chlorophenyl)-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;1-(furan-3-carbonyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one (CID 161348779) is 10a-(4-chlorophenyl)-1-(cyclopenta-1,4-diene-1-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(cyclopenta-1,4-diene-1-carbonyl)-9-oxido-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-9-ium-5-one;10a-(4-chlorophenyl)-5-oxo-N-(2-phenylethyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridine-1-carboxamide;10a-(4-chlorophenyl)-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;1-(furan-3-carbonyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one.

What is the SMILES notation for 10a-(4-chlorophenyl)-1-(cyclopenta-1,4-diene-1-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(cyclopenta-1,4-diene-1-carbonyl)-9-oxido-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-9-ium-5-one;10a-(4-chlorophenyl)-5-oxo-N-(2-phenylethyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridine-1-carboxamide;10a-(4-chlorophenyl)-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;1-(furan-3-carbonyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one?

The canonical SMILES for 10a-(4-chlorophenyl)-1-(cyclopenta-1,4-diene-1-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(cyclopenta-1,4-diene-1-carbonyl)-9-oxido-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-9-ium-5-one;10a-(4-chlorophenyl)-5-oxo-N-(2-phenylethyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridine-1-carboxamide;10a-(4-chlorophenyl)-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;1-(furan-3-carbonyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one is COc1ccc(C23Cc4ncccc4C(=O)N2CCN3C(=O)c2ccoc2)cc1.O=C(C1=CCC=C1)N1CCN2C(=O)c3ccc[n+]([O-])c3CC12c1ccc(Cl)cc1.O=C(C1=CCC=C1)N1CCN2C(=O)c3cccnc3CC12c1ccc(Cl)cc1.O=C(NCCc1ccccc1)N1CCN2C(=O)c3cccnc3CC12c1ccc(Cl)cc1.O=C(c1cccnc1)N1CCN2C(=O)c3cccnc3CC12c1ccc(Cl)cc1.

What is the InChIKey of 10a-(4-chlorophenyl)-1-(cyclopenta-1,4-diene-1-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(cyclopenta-1,4-diene-1-carbonyl)-9-oxido-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-9-ium-5-one;10a-(4-chlorophenyl)-5-oxo-N-(2-phenylethyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridine-1-carboxamide;10a-(4-chlorophenyl)-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;1-(furan-3-carbonyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one?

The InChIKey is VNQUHJFLUAWTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O2.C22H17ClN4O2.C22H18ClN3O3.C22H18ClN3O2.C22H19N3O4/c26-20-10-8-19(9-11-20)25-17-22-21(7-4-13-27-22)23(31)29(25)15-16-30(25)24(32)28-14-12-18-5-2-1-3-6-18;23-17-7-5-16(6-8-17)22-13-19-18(4-2-10-25-19)21(29)27(22)12-11-26(22)20(28)15-3-1-9-24-14-15;23-17-9-7-16(8-10-17)22-14-19-18(6-3-11-26(19)29)21(28)25(22)13-12-24(22)20(27)15-4-1-2-5-15;23-17-9-7-16(8-10-17)22-14-19-18(6-3-11-24-19)21(28)26(22)13-12-25(22)20(27)15-4-1-2-5-15;1-28-17-6-4-16(5-7-17)22-13-19-18(3-2-9-23-19)21(27)25(22)11-10-24(22)20(26)15-8-12-29-14-15/h1-11,13H,12,14-17H2,(H,28,32);1-10,14H,11-13H2;1,3-11H,2,12-14H2;1,3-11H,2,12-14H2;2-9,12,14H,10-11,13H2,1H3.

What are the key properties of 10a-(4-chlorophenyl)-1-(cyclopenta-1,4-diene-1-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(cyclopenta-1,4-diene-1-carbonyl)-9-oxido-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-9-ium-5-one;10a-(4-chlorophenyl)-5-oxo-N-(2-phenylethyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridine-1-carboxamide;10a-(4-chlorophenyl)-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;1-(furan-3-carbonyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one?

10a-(4-chlorophenyl)-1-(cyclopenta-1,4-diene-1-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(cyclopenta-1,4-diene-1-carbonyl)-9-oxido-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-9-ium-5-one;10a-(4-chlorophenyl)-5-oxo-N-(2-phenylethyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridine-1-carboxamide;10a-(4-chlorophenyl)-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;1-(furan-3-carbonyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one has a molecular weight of 2040.92 g/mol, XLogP of 15.55, 13 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 10a-(4-chlorophenyl)-1-(cyclopenta-1,4-diene-1-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(cyclopenta-1,4-diene-1-carbonyl)-9-oxido-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-9-ium-5-one;10a-(4-chlorophenyl)-5-oxo-N-(2-phenylethyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridine-1-carboxamide;10a-(4-chlorophenyl)-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;1-(furan-3-carbonyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one is sourced from PubChem (CID 161348779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).