4-(2,4-dichlorophenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(9-methyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[9-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one

C106H105Cl2N11O8 — CID 159060696

IUPAC4-(2,4-dichlorophenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(9-methyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[9-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one
SMILESCCCN1CCc2c(n(C)c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)C1.Cn1c2c(c3ccc(-n4ccc(-c5ccc(Cl)cc5Cl)cc4=O)cc31)CCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CCN(C(=O)CN1CCCC1)C2
InChIInChI=1S/C30H32N4O3.C27H29N3O2.C25H24N2O2.C24H20Cl2N2O/c1-31-27-17-23(34-16-11-24(18-29(34)35)37-21-22-7-3-2-4-8-22)9-10-25(27)26-12-15-33(19-28(26)31)30(36)20-32-13-5-6-14-32;1-3-13-29-14-12-24-23-10-9-21(16-25(23)28(2)26(24)18-29)30-15-11-22(17-27(30)31)32-19-20-7-5-4-6-8-20;1-26-23-10-6-5-9-21(23)22-12-11-19(15-24(22)26)27-14-13-20(16-25(27)28)29-17-18-7-3-2-4-8-18;1-27-22-5-3-2-4-19(22)20-9-7-17(14-23(20)27)28-11-10-15(12-24(28)29)18-8-6-16(25)13-21(18)26/h2-4,7-11,16-18H,5-6,12-15,19-21H2,1H3;4-11,15-17H,3,12-14,18-19H2,1-2H3;2-4,7-8,11-16H,5-6,9-10,17H2,1H3;6-14H,2-5H2,1H3
InChIKeyJYKUSKMBJJQQJU-UHFFFAOYSA-N
MW1731.98 g/mol
LogP19.53
Rot. Bonds18

About 4-(2,4-dichlorophenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(9-methyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[9-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one

4-(2,4-dichlorophenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(9-methyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[9-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one (PubChem CID 159060696) has the molecular formula C106H105Cl2N11O8 and a molecular weight of 1731.98 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(9-methyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[9-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(9-methyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[9-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one
PubChem CID159060696
Molecular FormulaC106H105Cl2N11O8
Molecular Weight1731.98 g/mol
Exact Mass1729.75
IUPAC Name4-(2,4-dichlorophenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(9-methyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[9-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one
SMILESCCCN1CCc2c(n(C)c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)C1.Cn1c2c(c3ccc(-n4ccc(-c5ccc(Cl)cc5Cl)cc4=O)cc31)CCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CCN(C(=O)CN1CCCC1)C2
InChIInChI=1S/C30H32N4O3.C27H29N3O2.C25H24N2O2.C24H20Cl2N2O/c1-31-27-17-23(34-16-11-24(18-29(34)35)37-21-22-7-3-2-4-8-22)9-10-25(27)26-12-15-33(19-28(26)31)30(36)20-32-13-5-6-14-32;1-3-13-29-14-12-24-23-10-9-21(16-25(23)28(2)26(24)18-29)30-15-11-22(17-27(30)31)32-19-20-7-5-4-6-8-20;1-26-23-10-6-5-9-21(23)22-12-11-19(15-24(22)26)27-14-13-20(16-25(27)28)29-17-18-7-3-2-4-8-18;1-27-22-5-3-2-4-19(22)20-9-7-17(14-23(20)27)28-11-10-15(12-24(28)29)18-8-6-16(25)13-21(18)26/h2-4,7-11,16-18H,5-6,12-15,19-21H2,1H3;4-11,15-17H,3,12-14,18-19H2,1-2H3;2-4,7-8,11-16H,5-6,9-10,17H2,1H3;6-14H,2-5H2,1H3
InChIKeyJYKUSKMBJJQQJU-UHFFFAOYSA-N
XLogP19.53
TPSA162.20 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms127
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001731.98
LogP ≤ 519.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 4-(2,4-dichlorophenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(9-methyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[9-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(9-methyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[9-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one?
The IUPAC name of 4-(2,4-dichlorophenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(9-methyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[9-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one (CID 159060696) is 4-(2,4-dichlorophenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(9-methyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[9-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(9-methyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[9-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 4-(2,4-dichlorophenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(9-methyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[9-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one is CCCN1CCc2c(n(C)c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)C1.Cn1c2c(c3ccc(-n4ccc(-c5ccc(Cl)cc5Cl)cc4=O)cc31)CCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CCN(C(=O)CN1CCCC1)C2.
What is the InChIKey of 4-(2,4-dichlorophenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(9-methyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[9-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one?
The InChIKey is JYKUSKMBJJQQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O3.C27H29N3O2.C25H24N2O2.C24H20Cl2N2O/c1-31-27-17-23(34-16-11-24(18-29(34)35)37-21-22-7-3-2-4-8-22)9-10-25(27)26-12-15-33(19-28(26)31)30(36)20-32-13-5-6-14-32;1-3-13-29-14-12-24-23-10-9-21(16-25(23)28(2)26(24)18-29)30-15-11-22(17-27(30)31)32-19-20-7-5-4-6-8-20;1-26-23-10-6-5-9-21(23)22-12-11-19(15-24(22)26)27-14-13-20(16-25(27)28)29-17-18-7-3-2-4-8-18;1-27-22-5-3-2-4-19(22)20-9-7-17(14-23(20)27)28-11-10-15(12-24(28)29)18-8-6-16(25)13-21(18)26/h2-4,7-11,16-18H,5-6,12-15,19-21H2,1H3;4-11,15-17H,3,12-14,18-19H2,1-2H3;2-4,7-8,11-16H,5-6,9-10,17H2,1H3;6-14H,2-5H2,1H3.
What are the key properties of 4-(2,4-dichlorophenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(9-methyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[9-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one?
4-(2,4-dichlorophenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(9-methyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[9-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one has a molecular weight of 1731.98 g/mol, XLogP of 19.53, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(9-methyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[9-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 159060696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).