10-methoxy-2-[2-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7-methylpyrido[4,3-c]carbazol-2-ium dichloride

C48H54Cl2N6O2 — CID 10101942

IUPAC10-methoxy-2-[2-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7-methylpyrido[4,3-c]carbazol-2-ium dichloride
SMILESCOc1ccc2c(c1)c1c3c[n+](CCN4CCC(C5CCN(CC[n+]6ccc7ccc8c(c7c6)c6cc(OC)ccc6n8C)CC5)CC4)ccc3ccc1n2C.[Cl-].[Cl-]
InChIInChI=1S/C48H54N6O2.2ClH/c1-49-43-11-7-37(55-3)29-39(43)47-41-31-53(23-17-35(41)5-9-45(47)49)27-25-51-19-13-33(14-20-51)34-15-21-52(22-16-34)26-28-54-24-18-36-6-10-46-48(42(36)32-54)40-30-38(56-4)8-12-44(40)50(46)2;;/h5-12,17-18,23-24,29-34H,13-16,19-22,25-28H2,1-4H3;2*1H/q+2;;/p-2
InChIKeyDPIMXTZQUIETHM-UHFFFAOYSA-L
MW817.91 g/mol
LogP2.01
Rot. Bonds9

About 10-methoxy-2-[2-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7-methylpyrido[4,3-c]carbazol-2-ium dichloride

10-methoxy-2-[2-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7-methylpyrido[4,3-c]carbazol-2-ium dichloride (PubChem CID 10101942) has the molecular formula C48H54Cl2N6O2 and a molecular weight of 817.91 g/mol. Its IUPAC name is 10-methoxy-2-[2-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7-methylpyrido[4,3-c]carbazol-2-ium dichloride.

Molecular Properties

Compound Name10-methoxy-2-[2-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7-methylpyrido[4,3-c]carbazol-2-ium dichloride
PubChem CID10101942
Molecular FormulaC48H54Cl2N6O2
Molecular Weight817.91 g/mol
Exact Mass816.37
IUPAC Name10-methoxy-2-[2-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7-methylpyrido[4,3-c]carbazol-2-ium dichloride
SMILESCOc1ccc2c(c1)c1c3c[n+](CCN4CCC(C5CCN(CC[n+]6ccc7ccc8c(c7c6)c6cc(OC)ccc6n8C)CC5)CC4)ccc3ccc1n2C.[Cl-].[Cl-]
InChIInChI=1S/C48H54N6O2.2ClH/c1-49-43-11-7-37(55-3)29-39(43)47-41-31-53(23-17-35(41)5-9-45(47)49)27-25-51-19-13-33(14-20-51)34-15-21-52(22-16-34)26-28-54-24-18-36-6-10-46-48(42(36)32-54)40-30-38(56-4)8-12-44(40)50(46)2;;/h5-12,17-18,23-24,29-34H,13-16,19-22,25-28H2,1-4H3;2*1H/q+2;;/p-2
InChIKeyDPIMXTZQUIETHM-UHFFFAOYSA-L
XLogP2.01
TPSA42.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500817.91
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 10-methoxy-2-[2-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7-methylpyrido[4,3-c]carbazol-2-ium dichloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-2-[2-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7-methylpyrido[4,3-c]carbazol-2-ium dichloride?
The IUPAC name of 10-methoxy-2-[2-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7-methylpyrido[4,3-c]carbazol-2-ium dichloride (CID 10101942) is 10-methoxy-2-[2-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7-methylpyrido[4,3-c]carbazol-2-ium dichloride.
What is the SMILES notation for 10-methoxy-2-[2-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7-methylpyrido[4,3-c]carbazol-2-ium dichloride?
The canonical SMILES for 10-methoxy-2-[2-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7-methylpyrido[4,3-c]carbazol-2-ium dichloride is COc1ccc2c(c1)c1c3c[n+](CCN4CCC(C5CCN(CC[n+]6ccc7ccc8c(c7c6)c6cc(OC)ccc6n8C)CC5)CC4)ccc3ccc1n2C.[Cl-].[Cl-].
What is the InChIKey of 10-methoxy-2-[2-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7-methylpyrido[4,3-c]carbazol-2-ium dichloride?
The InChIKey is DPIMXTZQUIETHM-UHFFFAOYSA-L. The full InChI is InChI=1S/C48H54N6O2.2ClH/c1-49-43-11-7-37(55-3)29-39(43)47-41-31-53(23-17-35(41)5-9-45(47)49)27-25-51-19-13-33(14-20-51)34-15-21-52(22-16-34)26-28-54-24-18-36-6-10-46-48(42(36)32-54)40-30-38(56-4)8-12-44(40)50(46)2;;/h5-12,17-18,23-24,29-34H,13-16,19-22,25-28H2,1-4H3;2*1H/q+2;;/p-2.
What are the key properties of 10-methoxy-2-[2-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7-methylpyrido[4,3-c]carbazol-2-ium dichloride?
10-methoxy-2-[2-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7-methylpyrido[4,3-c]carbazol-2-ium dichloride has a molecular weight of 817.91 g/mol, XLogP of 2.01, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-2-[2-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7-methylpyrido[4,3-c]carbazol-2-ium dichloride is sourced from PubChem (CID 10101942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).