6-chloro-2-methoxy-N-[2-[4-[1-[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]acridin-9-amine chloride

C44H48Cl2N6O2 — CID 14058294

IUPAC6-chloro-2-methoxy-N-[2-[4-[1-[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]acridin-9-amine chloride
SMILESCOc1ccc2nc3cc(Cl)ccc3c(NCCN3CCC(C4CCN(CC[n+]5ccc6ccc7[nH]c8ccc(OC)cc8c7c6c5)CC4)CC3)c2c1.[Cl-]
InChIInChI=1S/C44H47ClN6O2.ClH/c1-52-33-5-9-39-36(26-33)43-38-28-51(21-15-31(38)3-8-41(43)47-39)24-23-50-19-13-30(14-20-50)29-11-17-49(18-12-29)22-16-46-44-35-7-4-32(45)25-42(35)48-40-10-6-34(53-2)27-37(40)44;/h3-10,15,21,25-30H,11-14,16-20,22-24H2,1-2H3,(H,46,48);1H
InChIKeyJEBPNTXMSYLXAI-UHFFFAOYSA-N
MW763.81 g/mol
LogP5.67
Rot. Bonds10

About 6-chloro-2-methoxy-N-[2-[4-[1-[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]acridin-9-amine chloride

6-chloro-2-methoxy-N-[2-[4-[1-[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]acridin-9-amine chloride (PubChem CID 14058294) has the molecular formula C44H48Cl2N6O2 and a molecular weight of 763.81 g/mol. Its IUPAC name is 6-chloro-2-methoxy-N-[2-[4-[1-[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]acridin-9-amine chloride.

Molecular Properties

Compound Name6-chloro-2-methoxy-N-[2-[4-[1-[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]acridin-9-amine chloride
PubChem CID14058294
Molecular FormulaC44H48Cl2N6O2
Molecular Weight763.81 g/mol
Exact Mass762.32
IUPAC Name6-chloro-2-methoxy-N-[2-[4-[1-[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]acridin-9-amine chloride
SMILESCOc1ccc2nc3cc(Cl)ccc3c(NCCN3CCC(C4CCN(CC[n+]5ccc6ccc7[nH]c8ccc(OC)cc8c7c6c5)CC4)CC3)c2c1.[Cl-]
InChIInChI=1S/C44H47ClN6O2.ClH/c1-52-33-5-9-39-36(26-33)43-38-28-51(21-15-31(38)3-8-41(43)47-39)24-23-50-19-13-30(14-20-50)29-11-17-49(18-12-29)22-16-46-44-35-7-4-32(45)25-42(35)48-40-10-6-34(53-2)27-37(40)44;/h3-10,15,21,25-30H,11-14,16-20,22-24H2,1-2H3,(H,46,48);1H
InChIKeyJEBPNTXMSYLXAI-UHFFFAOYSA-N
XLogP5.67
TPSA69.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.81
LogP ≤ 55.67
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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 6-chloro-2-methoxy-N-[2-[4-[1-[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]acridin-9-amine chloride with MolForge

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Related Compounds

Ditercalinium Chloride
CID 71541
N,N'-Bis(6-chloro-2-methoxy-9-acridinyl)-1,4-piperazinedipropanamine
CID 9831373
6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]hexanamide
CID 11555824
3-Chloro-8-methoxy-11H-indolo[3,2-c]quinoline
CID 5378164
Ditercalinium
CID 3119
Mls000757007
CID 330267
N'-[(3-chloro-8-methoxy-11H-indolo[3,2-c]quinolin-9-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 10047213
8-[4-[4-(5-methoxy-1H-indol-3-yl)butyl]piperazin-1-yl]-1,2,3,4-tetrahydroacridin-9-amine
CID 145962768
[3-(2-acetamidoethyl)-1H-indol-5-yl] N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]carbamate
CID 90654204
6-Methylditercalanium methanesulfonate
CID 146653
Ditercalinium mesylate
CID 175838
3-chloro-8-methoxy-9-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-11H-indolo[3,2-c]quinoline
CID 10600162

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methoxy-N-[2-[4-[1-[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]acridin-9-amine chloride?
The IUPAC name of 6-chloro-2-methoxy-N-[2-[4-[1-[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]acridin-9-amine chloride (CID 14058294) is 6-chloro-2-methoxy-N-[2-[4-[1-[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]acridin-9-amine chloride.
What is the SMILES notation for 6-chloro-2-methoxy-N-[2-[4-[1-[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]acridin-9-amine chloride?
The canonical SMILES for 6-chloro-2-methoxy-N-[2-[4-[1-[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]acridin-9-amine chloride is COc1ccc2nc3cc(Cl)ccc3c(NCCN3CCC(C4CCN(CC[n+]5ccc6ccc7[nH]c8ccc(OC)cc8c7c6c5)CC4)CC3)c2c1.[Cl-].
What is the InChIKey of 6-chloro-2-methoxy-N-[2-[4-[1-[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]acridin-9-amine chloride?
The InChIKey is JEBPNTXMSYLXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H47ClN6O2.ClH/c1-52-33-5-9-39-36(26-33)43-38-28-51(21-15-31(38)3-8-41(43)47-39)24-23-50-19-13-30(14-20-50)29-11-17-49(18-12-29)22-16-46-44-35-7-4-32(45)25-42(35)48-40-10-6-34(53-2)27-37(40)44;/h3-10,15,21,25-30H,11-14,16-20,22-24H2,1-2H3,(H,46,48);1H.
What are the key properties of 6-chloro-2-methoxy-N-[2-[4-[1-[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]acridin-9-amine chloride?
6-chloro-2-methoxy-N-[2-[4-[1-[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]acridin-9-amine chloride has a molecular weight of 763.81 g/mol, XLogP of 5.67, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methoxy-N-[2-[4-[1-[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]acridin-9-amine chloride is sourced from PubChem (CID 14058294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).