1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-ethylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-[(2-methylpyrazol-3-yl)methyl]spiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-propan-2-ylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-ethylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-[(2-methylpyrazol-3-yl)methyl]spiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-propan-2-ylspiro[4H-isochromene-3,4'-piperidine]-1-one

C173H179N13O30 — CID 158431826

About 1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-ethylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-[(2-methylpyrazol-3-yl)methyl]spiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-propan-2-ylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-ethylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-[(2-methylpyrazol-3-yl)methyl]spiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-propan-2-ylspiro[4H-isochromene-3,4'-piperidine]-1-one

1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-ethylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-[(2-methylpyrazol-3-yl)methyl]spiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-propan-2-ylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-ethylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-[(2-methylpyrazol-3-yl)methyl]spiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-propan-2-ylspiro[4H-isochromene-3,4'-piperidine]-1-one (PubChem CID 158431826) has the molecular formula C173H179N13O30 and a molecular weight of 2920.40 g/mol. Its IUPAC name is 1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-ethylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-[(2-methylpyrazol-3-yl)methyl]spiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-propan-2-ylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-ethylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-[(2-methylpyrazol-3-yl)methyl]spiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-propan-2-ylspiro[4H-isochromene-3,4'-piperidine]-1-one.

Molecular Properties

• Compound Name: 1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-ethylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-[(2-methylpyrazol-3-yl)methyl]spiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-propan-2-ylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-ethylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-[(2-methylpyrazol-3-yl)methyl]spiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-propan-2-ylspiro[4H-isochromene-3,4'-piperidine]-1-one
• PubChem CID: 158431826
• Molecular Formula: C173H179N13O30
• Molecular Weight: 2920.40 g/mol
• Exact Mass: 2918.29
• IUPAC Name: 1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-ethylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-[(2-methylpyrazol-3-yl)methyl]spiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-propan-2-ylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-ethylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-[(2-methylpyrazol-3-yl)methyl]spiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-propan-2-ylspiro[4H-isochromene-3,4'-piperidine]-1-one
• SMILES: CCc1ccc2c(c1)C(=O)OC1(CCN(C(=O)c3cc(OC)c4cccc(OC)c4c3)CC1)C2.CCc1ccc2c(c1)C(=O)OC1(CCN(C(=O)c3cc(OC)c4cccc(OC)c4n3)CC1)C2.COc1cc(C(=O)N2CCC3(CC2)Cc2ccc(C(C)C)cc2C(=O)O3)cc2c(OC)cccc12.COc1cc(C(=O)N2CCC3(CC2)Cc2ccc(C(C)C)cc2C(=O)O3)nc2c(OC)cccc12.COc1cc(C(=O)N2CCC3(CC2)Cc2ccc(Cc4ccnn4C)cc2C(=O)O3)cc2c(OC)cccc12.COc1cc(C(=O)N2CCC3(CC2)Cc2ccc(Cc4ccnn4C)cc2C(=O)O3)nc2c(OC)cccc12
• InChI: InChI=1S/C31H31N3O5.C30H30N4O5.C29H31NO5.C28H30N2O5.C28H29NO5.C27H28N2O5/c1-33-23(9-12-32-33)15-20-7-8-21-19-31(39-30(36)25(21)16-20)10-13-34(14-11-31)29(35)22-17-26-24(28(18-22)38-3)5-4-6-27(26)37-2;1-33-21(9-12-31-33)15-19-7-8-20-18-30(39-29(36)23(20)16-19)10-13-34(14-11-30)28(35)24-17-26(38-3)22-5-4-6-25(37-2)27(22)32-24;1-18(2)19-8-9-20-17-29(35-28(32)23(20)14-19)10-12-30(13-11-29)27(31)21-15-24-22(26(16-21)34-4)6-5-7-25(24)33-3;1-17(2)18-8-9-19-16-28(35-27(32)21(19)14-18)10-12-30(13-11-28)26(31)22-15-24(34-4)20-6-5-7-23(33-3)25(20)29-22;1-4-18-8-9-19-17-28(34-27(31)22(19)14-18)10-12-29(13-11-28)26(30)20-15-23-21(25(16-20)33-3)6-5-7-24(23)32-2;1-4-17-8-9-18-16-27(34-26(31)20(18)14-17)10-12-29(13-11-27)25(30)21-15-23(33-3)19-6-5-7-22(32-2)24(19)28-21/h4-9,12,16-18H,10-11,13-15,19H2,1-3H3;4-9,12,16-17H,10-11,13-15,18H2,1-3H3;5-9,14-16,18H,10-13,17H2,1-4H3;5-9,14-15,17H,10-13,16H2,1-4H3;5-9,14-16H,4,10-13,17H2,1-3H3;5-9,14-15H,4,10-13,16H2,1-3H3
• InChIKey: HBTFEBCCVYVZKB-UHFFFAOYSA-N
• XLogP: 27.67
• TPSA: 464.73 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 26
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2920.40
LogP ≤ 5	27.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-ethylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-[(2-methylpyrazol-3-yl)methyl]spiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-propan-2-ylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-ethylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-[(2-methylpyrazol-3-yl)methyl]spiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-propan-2-ylspiro[4H-isochromene-3,4'-piperidine]-1-one?

The IUPAC name of 1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-ethylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-[(2-methylpyrazol-3-yl)methyl]spiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-propan-2-ylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-ethylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-[(2-methylpyrazol-3-yl)methyl]spiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-propan-2-ylspiro[4H-isochromene-3,4'-piperidine]-1-one (CID 158431826) is 1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-ethylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-[(2-methylpyrazol-3-yl)methyl]spiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-propan-2-ylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-ethylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-[(2-methylpyrazol-3-yl)methyl]spiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-propan-2-ylspiro[4H-isochromene-3,4'-piperidine]-1-one.

What is the SMILES notation for 1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-ethylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-[(2-methylpyrazol-3-yl)methyl]spiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-propan-2-ylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-ethylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-[(2-methylpyrazol-3-yl)methyl]spiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-propan-2-ylspiro[4H-isochromene-3,4'-piperidine]-1-one?

The canonical SMILES for 1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-ethylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-[(2-methylpyrazol-3-yl)methyl]spiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-propan-2-ylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-ethylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-[(2-methylpyrazol-3-yl)methyl]spiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-propan-2-ylspiro[4H-isochromene-3,4'-piperidine]-1-one is CCc1ccc2c(c1)C(=O)OC1(CCN(C(=O)c3cc(OC)c4cccc(OC)c4c3)CC1)C2.CCc1ccc2c(c1)C(=O)OC1(CCN(C(=O)c3cc(OC)c4cccc(OC)c4n3)CC1)C2.COc1cc(C(=O)N2CCC3(CC2)Cc2ccc(C(C)C)cc2C(=O)O3)cc2c(OC)cccc12.COc1cc(C(=O)N2CCC3(CC2)Cc2ccc(C(C)C)cc2C(=O)O3)nc2c(OC)cccc12.COc1cc(C(=O)N2CCC3(CC2)Cc2ccc(Cc4ccnn4C)cc2C(=O)O3)cc2c(OC)cccc12.COc1cc(C(=O)N2CCC3(CC2)Cc2ccc(Cc4ccnn4C)cc2C(=O)O3)nc2c(OC)cccc12.

What is the InChIKey of 1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-ethylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-[(2-methylpyrazol-3-yl)methyl]spiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-propan-2-ylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-ethylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-[(2-methylpyrazol-3-yl)methyl]spiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-propan-2-ylspiro[4H-isochromene-3,4'-piperidine]-1-one?

The InChIKey is HBTFEBCCVYVZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3O5.C30H30N4O5.C29H31NO5.C28H30N2O5.C28H29NO5.C27H28N2O5/c1-33-23(9-12-32-33)15-20-7-8-21-19-31(39-30(36)25(21)16-20)10-13-34(14-11-31)29(35)22-17-26-24(28(18-22)38-3)5-4-6-27(26)37-2;1-33-21(9-12-31-33)15-19-7-8-20-18-30(39-29(36)23(20)16-19)10-13-34(14-11-30)28(35)24-17-26(38-3)22-5-4-6-25(37-2)27(22)32-24;1-18(2)19-8-9-20-17-29(35-28(32)23(20)14-19)10-12-30(13-11-29)27(31)21-15-24-22(26(16-21)34-4)6-5-7-25(24)33-3;1-17(2)18-8-9-19-16-28(35-27(32)21(19)14-18)10-12-30(13-11-28)26(31)22-15-24(34-4)20-6-5-7-23(33-3)25(20)29-22;1-4-18-8-9-19-17-28(34-27(31)22(19)14-18)10-12-29(13-11-28)26(30)20-15-23-21(25(16-20)33-3)6-5-7-24(23)32-2;1-4-17-8-9-18-16-27(34-26(31)20(18)14-17)10-12-29(13-11-27)25(30)21-15-23(33-3)19-6-5-7-22(32-2)24(19)28-21/h4-9,12,16-18H,10-11,13-15,19H2,1-3H3;4-9,12,16-17H,10-11,13-15,18H2,1-3H3;5-9,14-16,18H,10-13,17H2,1-4H3;5-9,14-15,17H,10-13,16H2,1-4H3;5-9,14-16H,4,10-13,17H2,1-3H3;5-9,14-15H,4,10-13,16H2,1-3H3.

What are the key properties of 1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-ethylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-[(2-methylpyrazol-3-yl)methyl]spiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-propan-2-ylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-ethylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-[(2-methylpyrazol-3-yl)methyl]spiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-propan-2-ylspiro[4H-isochromene-3,4'-piperidine]-1-one?

1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-ethylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-[(2-methylpyrazol-3-yl)methyl]spiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-propan-2-ylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-ethylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-[(2-methylpyrazol-3-yl)methyl]spiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-propan-2-ylspiro[4H-isochromene-3,4'-piperidine]-1-one has a molecular weight of 2920.40 g/mol, XLogP of 27.67, 26 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-ethylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-[(2-methylpyrazol-3-yl)methyl]spiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxynaphthalene-2-carbonyl)-7-propan-2-ylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-ethylspiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-[(2-methylpyrazol-3-yl)methyl]spiro[4H-isochromene-3,4'-piperidine]-1-one;1'-(4,8-dimethoxyquinoline-2-carbonyl)-7-propan-2-ylspiro[4H-isochromene-3,4'-piperidine]-1-one is sourced from PubChem (CID 158431826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).