10a-(4-chlorophenyl)-1-[(E)-3-cyclopenta-1,4-dien-1-ylprop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-[2-(4-ethylphenyl)acetyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(2-phenylacetyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;1-[2-(1,2-benzoxazol-3-yl)acetyl]-10a-(4-chlorophenyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one

C122H101Cl5N16O12 — CID 157246589

About 10a-(4-chlorophenyl)-1-[(E)-3-cyclopenta-1,4-dien-1-ylprop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-[2-(4-ethylphenyl)acetyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(2-phenylacetyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;1-[2-(1,2-benzoxazol-3-yl)acetyl]-10a-(4-chlorophenyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one

10a-(4-chlorophenyl)-1-[(E)-3-cyclopenta-1,4-dien-1-ylprop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-[2-(4-ethylphenyl)acetyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(2-phenylacetyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;1-[2-(1,2-benzoxazol-3-yl)acetyl]-10a-(4-chlorophenyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one (PubChem CID 157246589) has the molecular formula C122H101Cl5N16O12 and a molecular weight of 2160.51 g/mol. Its IUPAC name is 10a-(4-chlorophenyl)-1-[(E)-3-cyclopenta-1,4-dien-1-ylprop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-[2-(4-ethylphenyl)acetyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(2-phenylacetyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;1-[2-(1,2-benzoxazol-3-yl)acetyl]-10a-(4-chlorophenyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one.

Molecular Properties

• Compound Name: 10a-(4-chlorophenyl)-1-[(E)-3-cyclopenta-1,4-dien-1-ylprop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-[2-(4-ethylphenyl)acetyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(2-phenylacetyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;1-[2-(1,2-benzoxazol-3-yl)acetyl]-10a-(4-chlorophenyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one
• PubChem CID: 157246589
• Molecular Formula: C122H101Cl5N16O12
• Molecular Weight: 2160.51 g/mol
• Exact Mass: 2156.62
• IUPAC Name: 10a-(4-chlorophenyl)-1-[(E)-3-cyclopenta-1,4-dien-1-ylprop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-[2-(4-ethylphenyl)acetyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(2-phenylacetyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;1-[2-(1,2-benzoxazol-3-yl)acetyl]-10a-(4-chlorophenyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one
• SMILES: CCc1ccc(CC(=O)N2CCN3C(=O)c4cccnc4CC23c2ccc(Cl)cc2)cc1.O=C(/C=C/C1=CCC=C1)N1CCN2C(=O)c3cccnc3CC12c1ccc(Cl)cc1.O=C(/C=C/c1ccco1)N1CCN2C(=O)c3cccnc3CC12c1ccc(Cl)cc1.O=C(Cc1ccccc1)N1CCN2C(=O)c3cccnc3CC12c1ccc(Cl)cc1.O=C(Cc1noc2ccccc12)N1CCN2C(=O)c3cccnc3CC12c1ccc(Cl)cc1
• InChI: InChI=1S/C26H24ClN3O2.C25H19ClN4O3.2C24H20ClN3O2.C23H18ClN3O3/c1-2-18-5-7-19(8-6-18)16-24(31)29-14-15-30-25(32)22-4-3-13-28-23(22)17-26(29,30)20-9-11-21(27)12-10-20;26-17-9-7-16(8-10-17)25-15-21-19(5-3-11-27-21)24(32)30(25)13-12-29(25)23(31)14-20-18-4-1-2-6-22(18)33-28-20;25-19-10-8-18(9-11-19)24-16-21-20(6-3-13-26-21)23(30)28(24)15-14-27(24)22(29)12-7-17-4-1-2-5-17;25-19-10-8-18(9-11-19)24-16-21-20(7-4-12-26-21)23(30)28(24)14-13-27(24)22(29)15-17-5-2-1-3-6-17;24-17-7-5-16(6-8-17)23-15-20-19(4-1-11-25-20)22(29)27(23)13-12-26(23)21(28)10-9-18-3-2-14-30-18/h3-13H,2,14-17H2,1H3;1-11H,12-15H2;1,3-13H,2,14-16H2;1-12H,13-16H2;1-11,14H,12-13,15H2/b;;12-7+;;10-9+
• InChIKey: AVVORHWXNYJGME-YUMCYBCLSA-N
• XLogP: 19.32
• TPSA: 306.72 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2160.51
LogP ≤ 5	19.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10a-(4-chlorophenyl)-1-[(E)-3-cyclopenta-1,4-dien-1-ylprop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-[2-(4-ethylphenyl)acetyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(2-phenylacetyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;1-[2-(1,2-benzoxazol-3-yl)acetyl]-10a-(4-chlorophenyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one?

The IUPAC name of 10a-(4-chlorophenyl)-1-[(E)-3-cyclopenta-1,4-dien-1-ylprop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-[2-(4-ethylphenyl)acetyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(2-phenylacetyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;1-[2-(1,2-benzoxazol-3-yl)acetyl]-10a-(4-chlorophenyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one (CID 157246589) is 10a-(4-chlorophenyl)-1-[(E)-3-cyclopenta-1,4-dien-1-ylprop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-[2-(4-ethylphenyl)acetyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(2-phenylacetyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;1-[2-(1,2-benzoxazol-3-yl)acetyl]-10a-(4-chlorophenyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one.

What is the SMILES notation for 10a-(4-chlorophenyl)-1-[(E)-3-cyclopenta-1,4-dien-1-ylprop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-[2-(4-ethylphenyl)acetyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(2-phenylacetyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;1-[2-(1,2-benzoxazol-3-yl)acetyl]-10a-(4-chlorophenyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one?

The canonical SMILES for 10a-(4-chlorophenyl)-1-[(E)-3-cyclopenta-1,4-dien-1-ylprop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-[2-(4-ethylphenyl)acetyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(2-phenylacetyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;1-[2-(1,2-benzoxazol-3-yl)acetyl]-10a-(4-chlorophenyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one is CCc1ccc(CC(=O)N2CCN3C(=O)c4cccnc4CC23c2ccc(Cl)cc2)cc1.O=C(/C=C/C1=CCC=C1)N1CCN2C(=O)c3cccnc3CC12c1ccc(Cl)cc1.O=C(/C=C/c1ccco1)N1CCN2C(=O)c3cccnc3CC12c1ccc(Cl)cc1.O=C(Cc1ccccc1)N1CCN2C(=O)c3cccnc3CC12c1ccc(Cl)cc1.O=C(Cc1noc2ccccc12)N1CCN2C(=O)c3cccnc3CC12c1ccc(Cl)cc1.

What is the InChIKey of 10a-(4-chlorophenyl)-1-[(E)-3-cyclopenta-1,4-dien-1-ylprop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-[2-(4-ethylphenyl)acetyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(2-phenylacetyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;1-[2-(1,2-benzoxazol-3-yl)acetyl]-10a-(4-chlorophenyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one?

The InChIKey is AVVORHWXNYJGME-YUMCYBCLSA-N. The full InChI is InChI=1S/C26H24ClN3O2.C25H19ClN4O3.2C24H20ClN3O2.C23H18ClN3O3/c1-2-18-5-7-19(8-6-18)16-24(31)29-14-15-30-25(32)22-4-3-13-28-23(22)17-26(29,30)20-9-11-21(27)12-10-20;26-17-9-7-16(8-10-17)25-15-21-19(5-3-11-27-21)24(32)30(25)13-12-29(25)23(31)14-20-18-4-1-2-6-22(18)33-28-20;25-19-10-8-18(9-11-19)24-16-21-20(6-3-13-26-21)23(30)28(24)15-14-27(24)22(29)12-7-17-4-1-2-5-17;25-19-10-8-18(9-11-19)24-16-21-20(7-4-12-26-21)23(30)28(24)14-13-27(24)22(29)15-17-5-2-1-3-6-17;24-17-7-5-16(6-8-17)23-15-20-19(4-1-11-25-20)22(29)27(23)13-12-26(23)21(28)10-9-18-3-2-14-30-18/h3-13H,2,14-17H2,1H3;1-11H,12-15H2;1,3-13H,2,14-16H2;1-12H,13-16H2;1-11,14H,12-13,15H2/b;;12-7+;;10-9+.

What are the key properties of 10a-(4-chlorophenyl)-1-[(E)-3-cyclopenta-1,4-dien-1-ylprop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-[2-(4-ethylphenyl)acetyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(2-phenylacetyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;1-[2-(1,2-benzoxazol-3-yl)acetyl]-10a-(4-chlorophenyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one?

10a-(4-chlorophenyl)-1-[(E)-3-cyclopenta-1,4-dien-1-ylprop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-[2-(4-ethylphenyl)acetyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(2-phenylacetyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;1-[2-(1,2-benzoxazol-3-yl)acetyl]-10a-(4-chlorophenyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one has a molecular weight of 2160.51 g/mol, XLogP of 19.32, 16 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 10a-(4-chlorophenyl)-1-[(E)-3-cyclopenta-1,4-dien-1-ylprop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-[2-(4-ethylphenyl)acetyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(2-phenylacetyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;1-[2-(1,2-benzoxazol-3-yl)acetyl]-10a-(4-chlorophenyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one is sourced from PubChem (CID 157246589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).