dichloromethane;bis(1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine)

C67H62Cl2N8O6 — CID 139166071

IUPACdichloromethane;bis(1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine)
SMILESCOc1cccc2ccc(CN(Cc3ccc4cccc(OC)c4n3)Cc3ccc4cccc(OC)c4n3)nc12.COc1cccc2ccc(CN(Cc3ccc4cccc(OC)c4n3)Cc3ccc4cccc(OC)c4n3)nc12.ClCCl
InChIInChI=1S/2C33H30N4O3.CH2Cl2/c2*1-38-28-10-4-7-22-13-16-25(34-31(22)28)19-37(20-26-17-14-23-8-5-11-29(39-2)32(23)35-26)21-27-18-15-24-9-6-12-30(40-3)33(24)36-27;2-1-3/h2*4-18H,19-21H2,1-3H3;1H2
InChIKeyPRAMVFFSACYGBL-UHFFFAOYSA-N
MW1146.19 g/mol
LogP14.54
Rot. Bonds18

About dichloromethane;bis(1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine)

dichloromethane;bis(1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine) (PubChem CID 139166071) has the molecular formula C67H62Cl2N8O6 and a molecular weight of 1146.19 g/mol. Its IUPAC name is dichloromethane;bis(1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine).

Molecular Properties

Compound Namedichloromethane;bis(1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine)
PubChem CID139166071
Molecular FormulaC67H62Cl2N8O6
Molecular Weight1146.19 g/mol
Exact Mass1144.42
IUPAC Namedichloromethane;bis(1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine)
SMILESCOc1cccc2ccc(CN(Cc3ccc4cccc(OC)c4n3)Cc3ccc4cccc(OC)c4n3)nc12.COc1cccc2ccc(CN(Cc3ccc4cccc(OC)c4n3)Cc3ccc4cccc(OC)c4n3)nc12.ClCCl
InChIInChI=1S/2C33H30N4O3.CH2Cl2/c2*1-38-28-10-4-7-22-13-16-25(34-31(22)28)19-37(20-26-17-14-23-8-5-11-29(39-2)32(23)35-26)21-27-18-15-24-9-6-12-30(40-3)33(24)36-27;2-1-3/h2*4-18H,19-21H2,1-3H3;1H2
InChIKeyPRAMVFFSACYGBL-UHFFFAOYSA-N
XLogP14.54
TPSA139.20 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001146.19
LogP ≤ 514.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze dichloromethane;bis(1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine) with MolForge

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Launch Full Analysis

Related Compounds

Lithium tetra(2-methyl-8-hydroxyquinolinato)boron
CID 23714786
1,6-Hexanediamine, N,N'-bis(4-methoxy-9-acridinyl)-
CID 99662
1,8-Octanediamine, N,N'-bis(4-methoxy-9-acridinyl)-
CID 99663
2-N-(9-amino-7-methoxyacridin-2-yl)-2-N-[8-[bis(9-amino-7-methoxyacridin-2-yl)amino]octyl]-7-methoxyacridine-2,9-diamine
CID 49863466
N,N,N',N'-tetrakis(9-chloro-7-methoxyacridin-2-yl)heptane-1,7-diamine
CID 49863467
2-N-(9-amino-7-methoxyacridin-2-yl)-2-N-[6-[bis(9-amino-7-methoxyacridin-2-yl)amino]hexyl]-7-methoxyacridine-2,9-diamine
CID 49863465
2-N-(9-amino-7-methoxyacridin-2-yl)-2-N-[5-[bis(9-amino-7-methoxyacridin-2-yl)amino]pentyl]-7-methoxyacridine-2,9-diamine
CID 49863468
N,N,N',N'-tetrakis(9-chloro-7-methoxyacridin-2-yl)pentane-1,5-diamine
CID 49863469
2-[(E)-2-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]ethenyl]-1-methyl-4-(4-methylpiperazin-1-yl)quinolin-1-ium iodide
CID 137643848
N,N'-bis(4-butoxyacridin-9-yl)ethane-1,2-diamine
CID 321884
4-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acridin-9-amine
CID 12084984
1,2-Ethanediamine, N-(2-chloroethyl)-N-ethyl-N'-(4-methoxy-9-acridinyl)-, dihydrochloride, hemihydrate
CID 3060204

Frequently Asked Questions

What is the IUPAC name of dichloromethane;bis(1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine)?
The IUPAC name of dichloromethane;bis(1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine) (CID 139166071) is dichloromethane;bis(1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine).
What is the SMILES notation for dichloromethane;bis(1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine)?
The canonical SMILES for dichloromethane;bis(1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine) is COc1cccc2ccc(CN(Cc3ccc4cccc(OC)c4n3)Cc3ccc4cccc(OC)c4n3)nc12.COc1cccc2ccc(CN(Cc3ccc4cccc(OC)c4n3)Cc3ccc4cccc(OC)c4n3)nc12.ClCCl.
What is the InChIKey of dichloromethane;bis(1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine)?
The InChIKey is PRAMVFFSACYGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H30N4O3.CH2Cl2/c2*1-38-28-10-4-7-22-13-16-25(34-31(22)28)19-37(20-26-17-14-23-8-5-11-29(39-2)32(23)35-26)21-27-18-15-24-9-6-12-30(40-3)33(24)36-27;2-1-3/h2*4-18H,19-21H2,1-3H3;1H2.
What are the key properties of dichloromethane;bis(1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine)?
dichloromethane;bis(1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine) has a molecular weight of 1146.19 g/mol, XLogP of 14.54, 18 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;bis(1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine) is sourced from PubChem (CID 139166071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).