chlorobenzene;N-(5-formamido-5-oxopentan-2-yl)-2-formyl-N-methyl-6-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-(4-methylcyclohexyl)piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzamide;6-methoxy-2-[4-(methylamino)phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one

C71H104ClN7O16 — CID 145381910

About chlorobenzene;N-(5-formamido-5-oxopentan-2-yl)-2-formyl-N-methyl-6-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-(4-methylcyclohexyl)piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzamide;6-methoxy-2-[4-(methylamino)phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one

chlorobenzene;N-(5-formamido-5-oxopentan-2-yl)-2-formyl-N-methyl-6-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-(4-methylcyclohexyl)piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzamide;6-methoxy-2-[4-(methylamino)phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one (PubChem CID 145381910) has the molecular formula C71H104ClN7O16 and a molecular weight of 1347.10 g/mol. Its IUPAC name is chlorobenzene;N-(5-formamido-5-oxopentan-2-yl)-2-formyl-N-methyl-6-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-(4-methylcyclohexyl)piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzamide;6-methoxy-2-[4-(methylamino)phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one.

Molecular Properties

• Compound Name: chlorobenzene;N-(5-formamido-5-oxopentan-2-yl)-2-formyl-N-methyl-6-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-(4-methylcyclohexyl)piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzamide;6-methoxy-2-[4-(methylamino)phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one
• PubChem CID: 145381910
• Molecular Formula: C71H104ClN7O16
• Molecular Weight: 1347.10 g/mol
• Exact Mass: 1345.72
• IUPAC Name: chlorobenzene;N-(5-formamido-5-oxopentan-2-yl)-2-formyl-N-methyl-6-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-(4-methylcyclohexyl)piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzamide;6-methoxy-2-[4-(methylamino)phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one
• SMILES: CC1CCC(N2CCN(C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNc3cccc(C=O)c3C(=O)N(C)C(C)CCC(=O)NC=O)CC2)CC1.CNc1ccc(N2Cc3cc(OC(C)C)c(OC)cc3CC2=O)cc1.Clc1ccccc1
• InChI: InChI=1S/C45H75N5O13.C20H24N2O3.C6H5Cl/c1-37-7-10-40(11-8-37)49-15-17-50(18-16-49)43(54)13-19-56-21-23-58-25-27-60-29-31-62-33-34-63-32-30-61-28-26-59-24-22-57-20-14-46-41-6-4-5-39(35-51)44(41)45(55)48(3)38(2)9-12-42(53)47-36-52;1-13(2)25-19-10-15-12-22(17-7-5-16(21-3)6-8-17)20(23)11-14(15)9-18(19)24-4;7-6-4-2-1-3-5-6/h4-6,35-38,40,46H,7-34H2,1-3H3,(H,47,52,53);5-10,13,21H,11-12H2,1-4H3;1-5H
• InChIKey: QCNOMHIWQXVLBJ-UHFFFAOYSA-N
• XLogP: 8.62
• TPSA: 243.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 41
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1347.10
LogP ≤ 5	8.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of chlorobenzene;N-(5-formamido-5-oxopentan-2-yl)-2-formyl-N-methyl-6-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-(4-methylcyclohexyl)piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzamide;6-methoxy-2-[4-(methylamino)phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one?

The IUPAC name of chlorobenzene;N-(5-formamido-5-oxopentan-2-yl)-2-formyl-N-methyl-6-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-(4-methylcyclohexyl)piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzamide;6-methoxy-2-[4-(methylamino)phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one (CID 145381910) is chlorobenzene;N-(5-formamido-5-oxopentan-2-yl)-2-formyl-N-methyl-6-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-(4-methylcyclohexyl)piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzamide;6-methoxy-2-[4-(methylamino)phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one.

What is the SMILES notation for chlorobenzene;N-(5-formamido-5-oxopentan-2-yl)-2-formyl-N-methyl-6-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-(4-methylcyclohexyl)piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzamide;6-methoxy-2-[4-(methylamino)phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one?

The canonical SMILES for chlorobenzene;N-(5-formamido-5-oxopentan-2-yl)-2-formyl-N-methyl-6-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-(4-methylcyclohexyl)piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzamide;6-methoxy-2-[4-(methylamino)phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one is CC1CCC(N2CCN(C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNc3cccc(C=O)c3C(=O)N(C)C(C)CCC(=O)NC=O)CC2)CC1.CNc1ccc(N2Cc3cc(OC(C)C)c(OC)cc3CC2=O)cc1.Clc1ccccc1.

What is the InChIKey of chlorobenzene;N-(5-formamido-5-oxopentan-2-yl)-2-formyl-N-methyl-6-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-(4-methylcyclohexyl)piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzamide;6-methoxy-2-[4-(methylamino)phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one?

The InChIKey is QCNOMHIWQXVLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H75N5O13.C20H24N2O3.C6H5Cl/c1-37-7-10-40(11-8-37)49-15-17-50(18-16-49)43(54)13-19-56-21-23-58-25-27-60-29-31-62-33-34-63-32-30-61-28-26-59-24-22-57-20-14-46-41-6-4-5-39(35-51)44(41)45(55)48(3)38(2)9-12-42(53)47-36-52;1-13(2)25-19-10-15-12-22(17-7-5-16(21-3)6-8-17)20(23)11-14(15)9-18(19)24-4;7-6-4-2-1-3-5-6/h4-6,35-38,40,46H,7-34H2,1-3H3,(H,47,52,53);5-10,13,21H,11-12H2,1-4H3;1-5H.

What are the key properties of chlorobenzene;N-(5-formamido-5-oxopentan-2-yl)-2-formyl-N-methyl-6-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-(4-methylcyclohexyl)piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzamide;6-methoxy-2-[4-(methylamino)phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one?

chlorobenzene;N-(5-formamido-5-oxopentan-2-yl)-2-formyl-N-methyl-6-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-(4-methylcyclohexyl)piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzamide;6-methoxy-2-[4-(methylamino)phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one has a molecular weight of 1347.10 g/mol, XLogP of 8.62, 41 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for chlorobenzene;N-(5-formamido-5-oxopentan-2-yl)-2-formyl-N-methyl-6-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-(4-methylcyclohexyl)piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzamide;6-methoxy-2-[4-(methylamino)phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one is sourced from PubChem (CID 145381910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).