1-N,2-N-bis(6-chloro-2-methoxyacridin-9-yl)cyclohexane-1,2-diamine

C34H30Cl2N4O2 — CID 10393752

IUPAC1-N,2-N-bis(6-chloro-2-methoxyacridin-9-yl)cyclohexane-1,2-diamine
SMILESCOc1ccc2nc3cc(Cl)ccc3c(NC3CCCCC3Nc3c4ccc(Cl)cc4nc4ccc(OC)cc34)c2c1
InChIInChI=1S/C34H30Cl2N4O2/c1-41-21-9-13-27-25(17-21)33(23-11-7-19(35)15-31(23)37-27)39-29-5-3-4-6-30(29)40-34-24-12-8-20(36)16-32(24)38-28-14-10-22(42-2)18-26(28)34/h7-18,29-30H,3-6H2,1-2H3,(H,37,39)(H,38,40)
InChIKeyCIZRDFFUBUYUQE-UHFFFAOYSA-N
MW597.55 g/mol
LogP9.25
Rot. Bonds6

About 1-N,2-N-bis(6-chloro-2-methoxyacridin-9-yl)cyclohexane-1,2-diamine

1-N,2-N-bis(6-chloro-2-methoxyacridin-9-yl)cyclohexane-1,2-diamine (PubChem CID 10393752) has the molecular formula C34H30Cl2N4O2 and a molecular weight of 597.55 g/mol. Its IUPAC name is 1-N,2-N-bis(6-chloro-2-methoxyacridin-9-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-bis(6-chloro-2-methoxyacridin-9-yl)cyclohexane-1,2-diamine
PubChem CID10393752
Molecular FormulaC34H30Cl2N4O2
Molecular Weight597.55 g/mol
Exact Mass596.17
IUPAC Name1-N,2-N-bis(6-chloro-2-methoxyacridin-9-yl)cyclohexane-1,2-diamine
SMILESCOc1ccc2nc3cc(Cl)ccc3c(NC3CCCCC3Nc3c4ccc(Cl)cc4nc4ccc(OC)cc34)c2c1
InChIInChI=1S/C34H30Cl2N4O2/c1-41-21-9-13-27-25(17-21)33(23-11-7-19(35)15-31(23)37-27)39-29-5-3-4-6-30(29)40-34-24-12-8-20(36)16-32(24)38-28-14-10-22(42-2)18-26(28)34/h7-18,29-30H,3-6H2,1-2H3,(H,37,39)(H,38,40)
InChIKeyCIZRDFFUBUYUQE-UHFFFAOYSA-N
XLogP9.25
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.55
LogP ≤ 59.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

CID 21123047
CID 21123047
N,N'-bis(6-chloro-2-methoxyacridin-9-yl)nonane-1,9-diamine
CID 158996243
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CID 56666124
N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane
CID 166169543
N'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine
CID 511167
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CID 44537218
N-(6-chloro-2-methoxyacridin-9-yl)-N'-methoxy-N'-methylethane-1,2-diamine
CID 170597932
N-(6-chloro-2-methoxyacridin-9-yl)-N'-cyclopropyl-N'-ethylbutane-1,4-diamine
CID 71471685
N-(6-chloro-2-methoxyacridin-9-yl)-N'-[11-[(6-chloro-2-methoxyacridin-9-yl)amino]undecyl]-N'-methylpentadecane-1,15-diamine
CID 154727097
6-chloro-2-methoxy-N,N-dimethylacridin-9-amine
CID 71406674
1-(6-chloro-2-methoxyacridin-9-yl)piperidin-4-ol
CID 71595103
2-amino-N'-(6-chloro-2-methoxyacridin-9-yl)propanehydrazide
CID 14162077

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(6-chloro-2-methoxyacridin-9-yl)cyclohexane-1,2-diamine?
The IUPAC name of 1-N,2-N-bis(6-chloro-2-methoxyacridin-9-yl)cyclohexane-1,2-diamine (CID 10393752) is 1-N,2-N-bis(6-chloro-2-methoxyacridin-9-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-bis(6-chloro-2-methoxyacridin-9-yl)cyclohexane-1,2-diamine?
The canonical SMILES for 1-N,2-N-bis(6-chloro-2-methoxyacridin-9-yl)cyclohexane-1,2-diamine is COc1ccc2nc3cc(Cl)ccc3c(NC3CCCCC3Nc3c4ccc(Cl)cc4nc4ccc(OC)cc34)c2c1.
What is the InChIKey of 1-N,2-N-bis(6-chloro-2-methoxyacridin-9-yl)cyclohexane-1,2-diamine?
The InChIKey is CIZRDFFUBUYUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30Cl2N4O2/c1-41-21-9-13-27-25(17-21)33(23-11-7-19(35)15-31(23)37-27)39-29-5-3-4-6-30(29)40-34-24-12-8-20(36)16-32(24)38-28-14-10-22(42-2)18-26(28)34/h7-18,29-30H,3-6H2,1-2H3,(H,37,39)(H,38,40).
What are the key properties of 1-N,2-N-bis(6-chloro-2-methoxyacridin-9-yl)cyclohexane-1,2-diamine?
1-N,2-N-bis(6-chloro-2-methoxyacridin-9-yl)cyclohexane-1,2-diamine has a molecular weight of 597.55 g/mol, XLogP of 9.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(6-chloro-2-methoxyacridin-9-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 10393752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).