6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl 2-methylprop-2-enoate;6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl prop-2-enoate;1-[6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3-dioxobenzo[de]isoquinolin-2-yl]propan-2-yl 2-methylprop-2-enoate;1-[6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3-dioxobenzo[de]isoquinolin-2-yl]propan-2-yl prop-2-enoate

C112H132N4O20 — CID 158489268

IUPAC6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl 2-methylprop-2-enoate;6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl prop-2-enoate;1-[6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3-dioxobenzo[de]isoquinolin-2-yl]propan-2-yl 2-methylprop-2-enoate;1-[6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3-dioxobenzo[de]isoquinolin-2-yl]propan-2-yl prop-2-enoate
SMILESC=C(C)C(=O)OC(C)CN1C(=O)c2cccc3c(OC4CC(C)CCC4C(C)C)ccc(c23)C1=O.C=C(C)C(=O)OCCCCCCN1C(=O)c2cccc3c(OC4CCCCC4)ccc(c23)C1=O.C=CC(=O)OC(C)CN1C(=O)c2cccc3c(OC4CC(C)CCC4C(C)C)ccc(c23)C1=O.C=CC(=O)OCCCCCCN1C(=O)c2cccc3c(OC4CCCCC4)ccc(c23)C1=O
InChIInChI=1S/C29H35NO5.2C28H33NO5.C27H31NO5/c1-16(2)20-11-10-18(5)14-25(20)35-24-13-12-23-26-21(24)8-7-9-22(26)27(31)30(28(23)32)15-19(6)34-29(33)17(3)4;1-6-25(30)33-18(5)15-29-27(31)21-9-7-8-20-23(13-12-22(26(20)21)28(29)32)34-24-14-17(4)10-11-19(24)16(2)3;1-19(2)28(32)33-18-9-4-3-8-17-29-26(30)22-14-10-13-21-24(34-20-11-6-5-7-12-20)16-15-23(25(21)22)27(29)31;1-2-24(29)32-18-9-4-3-8-17-28-26(30)21-14-10-13-20-23(33-19-11-6-5-7-12-19)16-15-22(25(20)21)27(28)31/h7-9,12-13,16,18-20,25H,3,10-11,14-15H2,1-2,4-6H3;6-9,12-13,16-19,24H,1,10-11,14-15H2,2-5H3;10,13-16,20H,1,3-9,11-12,17-18H2,2H3;2,10,13-16,19H,1,3-9,11-12,17-18H2
InChIKeyHIMLDSUDOAUSBN-UHFFFAOYSA-N
MW1854.30 g/mol
LogP22.44
Rot. Bonds34

About 6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl 2-methylprop-2-enoate;6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl prop-2-enoate;1-[6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3-dioxobenzo[de]isoquinolin-2-yl]propan-2-yl 2-methylprop-2-enoate;1-[6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3-dioxobenzo[de]isoquinolin-2-yl]propan-2-yl prop-2-enoate

6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl 2-methylprop-2-enoate;6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl prop-2-enoate;1-[6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3-dioxobenzo[de]isoquinolin-2-yl]propan-2-yl 2-methylprop-2-enoate;1-[6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3-dioxobenzo[de]isoquinolin-2-yl]propan-2-yl prop-2-enoate (PubChem CID 158489268) has the molecular formula C112H132N4O20 and a molecular weight of 1854.30 g/mol. Its IUPAC name is 6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl 2-methylprop-2-enoate;6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl prop-2-enoate;1-[6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3-dioxobenzo[de]isoquinolin-2-yl]propan-2-yl 2-methylprop-2-enoate;1-[6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3-dioxobenzo[de]isoquinolin-2-yl]propan-2-yl prop-2-enoate.

Molecular Properties

Compound Name6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl 2-methylprop-2-enoate;6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl prop-2-enoate;1-[6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3-dioxobenzo[de]isoquinolin-2-yl]propan-2-yl 2-methylprop-2-enoate;1-[6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3-dioxobenzo[de]isoquinolin-2-yl]propan-2-yl prop-2-enoate
PubChem CID158489268
Molecular FormulaC112H132N4O20
Molecular Weight1854.30 g/mol
Exact Mass1852.94
IUPAC Name6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl 2-methylprop-2-enoate;6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl prop-2-enoate;1-[6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3-dioxobenzo[de]isoquinolin-2-yl]propan-2-yl 2-methylprop-2-enoate;1-[6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3-dioxobenzo[de]isoquinolin-2-yl]propan-2-yl prop-2-enoate
SMILESC=C(C)C(=O)OC(C)CN1C(=O)c2cccc3c(OC4CC(C)CCC4C(C)C)ccc(c23)C1=O.C=C(C)C(=O)OCCCCCCN1C(=O)c2cccc3c(OC4CCCCC4)ccc(c23)C1=O.C=CC(=O)OC(C)CN1C(=O)c2cccc3c(OC4CC(C)CCC4C(C)C)ccc(c23)C1=O.C=CC(=O)OCCCCCCN1C(=O)c2cccc3c(OC4CCCCC4)ccc(c23)C1=O
InChIInChI=1S/C29H35NO5.2C28H33NO5.C27H31NO5/c1-16(2)20-11-10-18(5)14-25(20)35-24-13-12-23-26-21(24)8-7-9-22(26)27(31)30(28(23)32)15-19(6)34-29(33)17(3)4;1-6-25(30)33-18(5)15-29-27(31)21-9-7-8-20-23(13-12-22(26(20)21)28(29)32)34-24-14-17(4)10-11-19(24)16(2)3;1-19(2)28(32)33-18-9-4-3-8-17-29-26(30)22-14-10-13-21-24(34-20-11-6-5-7-12-20)16-15-23(25(21)22)27(29)31;1-2-24(29)32-18-9-4-3-8-17-28-26(30)21-14-10-13-20-23(33-19-11-6-5-7-12-19)16-15-22(25(20)21)27(28)31/h7-9,12-13,16,18-20,25H,3,10-11,14-15H2,1-2,4-6H3;6-9,12-13,16-19,24H,1,10-11,14-15H2,2-5H3;10,13-16,20H,1,3-9,11-12,17-18H2,2H3;2,10,13-16,19H,1,3-9,11-12,17-18H2
InChIKeyHIMLDSUDOAUSBN-UHFFFAOYSA-N
XLogP22.44
TPSA291.64 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds34
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001854.30
LogP ≤ 522.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl 2-methylprop-2-enoate;6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl prop-2-enoate;1-[6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3-dioxobenzo[de]isoquinolin-2-yl]propan-2-yl 2-methylprop-2-enoate;1-[6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3-dioxobenzo[de]isoquinolin-2-yl]propan-2-yl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl 2-methylprop-2-enoate
CID 11662663
(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl prop-2-enoate
CID 11545357
5-(2-cyclohexyl-1,3-dioxobenzo[de]isoquinolin-6-yl)oxypentyl prop-2-enoate
CID 58942713
2-[cyclohexyl-(2-hexyl-1,3-dioxobenzo[de]isoquinolin-6-yl)amino]ethyl 2-methylprop-2-enoate
CID 58942707
5-(2-cyclohept-4-en-1-yl-1,3-dioxobenzo[de]isoquinolin-6-yl)oxypentyl prop-2-enoate
CID 143118750
6-cyclohexyloxy-2-(2-ethylhexyl)benzo[de]isoquinoline-1,3-dione
CID 137492160
2-(1,3-dioxo-6-phenoxybenzo[de]isoquinolin-2-yl)ethyl 2-methylprop-2-enoate
CID 137492494
2-[2-cyclohexyl-1,3-dioxo-7-(2-prop-2-enoyloxyethoxy)benzo[de]isoquinolin-6-yl]oxyethyl prop-2-enoate
CID 137492169
2-cyclohexyl-6-cyclohexyloxybenzo[de]isoquinoline-1,3-dione
CID 137483930
10-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate;10-prop-2-enoyloxydecyl prop-2-enoate;12-prop-2-enoyloxydodecyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162183490
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;9-prop-2-enoyloxynonyl prop-2-enoate
CID 160866067
2-[6-methoxy-7-[2-(2-methylprop-2-enoyloxy)ethoxy]-1,3-dioxobenzo[de]isoquinolin-2-yl]ethyl 2-methylprop-2-enoate
CID 137492140

Frequently Asked Questions

What is the IUPAC name of 6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl 2-methylprop-2-enoate;6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl prop-2-enoate;1-[6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3-dioxobenzo[de]isoquinolin-2-yl]propan-2-yl 2-methylprop-2-enoate;1-[6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3-dioxobenzo[de]isoquinolin-2-yl]propan-2-yl prop-2-enoate?
The IUPAC name of 6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl 2-methylprop-2-enoate;6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl prop-2-enoate;1-[6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3-dioxobenzo[de]isoquinolin-2-yl]propan-2-yl 2-methylprop-2-enoate;1-[6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3-dioxobenzo[de]isoquinolin-2-yl]propan-2-yl prop-2-enoate (CID 158489268) is 6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl 2-methylprop-2-enoate;6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl prop-2-enoate;1-[6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3-dioxobenzo[de]isoquinolin-2-yl]propan-2-yl 2-methylprop-2-enoate;1-[6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3-dioxobenzo[de]isoquinolin-2-yl]propan-2-yl prop-2-enoate.
What is the SMILES notation for 6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl 2-methylprop-2-enoate;6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl prop-2-enoate;1-[6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3-dioxobenzo[de]isoquinolin-2-yl]propan-2-yl 2-methylprop-2-enoate;1-[6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3-dioxobenzo[de]isoquinolin-2-yl]propan-2-yl prop-2-enoate?
The canonical SMILES for 6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl 2-methylprop-2-enoate;6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl prop-2-enoate;1-[6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3-dioxobenzo[de]isoquinolin-2-yl]propan-2-yl 2-methylprop-2-enoate;1-[6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3-dioxobenzo[de]isoquinolin-2-yl]propan-2-yl prop-2-enoate is C=C(C)C(=O)OC(C)CN1C(=O)c2cccc3c(OC4CC(C)CCC4C(C)C)ccc(c23)C1=O.C=C(C)C(=O)OCCCCCCN1C(=O)c2cccc3c(OC4CCCCC4)ccc(c23)C1=O.C=CC(=O)OC(C)CN1C(=O)c2cccc3c(OC4CC(C)CCC4C(C)C)ccc(c23)C1=O.C=CC(=O)OCCCCCCN1C(=O)c2cccc3c(OC4CCCCC4)ccc(c23)C1=O.
What is the InChIKey of 6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl 2-methylprop-2-enoate;6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl prop-2-enoate;1-[6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3-dioxobenzo[de]isoquinolin-2-yl]propan-2-yl 2-methylprop-2-enoate;1-[6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3-dioxobenzo[de]isoquinolin-2-yl]propan-2-yl prop-2-enoate?
The InChIKey is HIMLDSUDOAUSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO5.2C28H33NO5.C27H31NO5/c1-16(2)20-11-10-18(5)14-25(20)35-24-13-12-23-26-21(24)8-7-9-22(26)27(31)30(28(23)32)15-19(6)34-29(33)17(3)4;1-6-25(30)33-18(5)15-29-27(31)21-9-7-8-20-23(13-12-22(26(20)21)28(29)32)34-24-14-17(4)10-11-19(24)16(2)3;1-19(2)28(32)33-18-9-4-3-8-17-29-26(30)22-14-10-13-21-24(34-20-11-6-5-7-12-20)16-15-23(25(21)22)27(29)31;1-2-24(29)32-18-9-4-3-8-17-28-26(30)21-14-10-13-20-23(33-19-11-6-5-7-12-19)16-15-22(25(20)21)27(28)31/h7-9,12-13,16,18-20,25H,3,10-11,14-15H2,1-2,4-6H3;6-9,12-13,16-19,24H,1,10-11,14-15H2,2-5H3;10,13-16,20H,1,3-9,11-12,17-18H2,2H3;2,10,13-16,19H,1,3-9,11-12,17-18H2.
What are the key properties of 6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl 2-methylprop-2-enoate;6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl prop-2-enoate;1-[6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3-dioxobenzo[de]isoquinolin-2-yl]propan-2-yl 2-methylprop-2-enoate;1-[6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3-dioxobenzo[de]isoquinolin-2-yl]propan-2-yl prop-2-enoate?
6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl 2-methylprop-2-enoate;6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl prop-2-enoate;1-[6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3-dioxobenzo[de]isoquinolin-2-yl]propan-2-yl 2-methylprop-2-enoate;1-[6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3-dioxobenzo[de]isoquinolin-2-yl]propan-2-yl prop-2-enoate has a molecular weight of 1854.30 g/mol, XLogP of 22.44, 34 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl 2-methylprop-2-enoate;6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl prop-2-enoate;1-[6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3-dioxobenzo[de]isoquinolin-2-yl]propan-2-yl 2-methylprop-2-enoate;1-[6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3-dioxobenzo[de]isoquinolin-2-yl]propan-2-yl prop-2-enoate is sourced from PubChem (CID 158489268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).