[6-hydroxy-14-methyl-15-[[(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-5-yl] hydrogen carbonate;dihydrochloride

C25H32Cl2N4O5 — CID 126686057

IUPAC[6-hydroxy-14-methyl-15-[[(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-5-yl] hydrogen carbonate;dihydrochloride
SMILESCN1CCC(NCc2cc3cc4c(cc3n2C)CCCc2c-4[nH]c(=O)c(OC(=O)O)c2O)CC1.Cl.Cl
InChIInChI=1S/C25H30N4O5.2ClH/c1-28-8-6-16(7-9-28)26-13-17-10-15-11-19-14(12-20(15)29(17)2)4-3-5-18-21(19)27-24(31)23(22(18)30)34-25(32)33;;/h10-12,16,26H,3-9,13H2,1-2H3,(H,32,33)(H2,27,30,31);2*1H
InChIKeyQKYOVXWMHWORFN-UHFFFAOYSA-N
MW539.46 g/mol
LogP3.81
Rot. Bonds4

About [6-hydroxy-14-methyl-15-[[(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-5-yl] hydrogen carbonate;dihydrochloride

[6-hydroxy-14-methyl-15-[[(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-5-yl] hydrogen carbonate;dihydrochloride (PubChem CID 126686057) has the molecular formula C25H32Cl2N4O5 and a molecular weight of 539.46 g/mol. Its IUPAC name is [6-hydroxy-14-methyl-15-[[(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-5-yl] hydrogen carbonate;dihydrochloride.

Molecular Properties

Compound Name[6-hydroxy-14-methyl-15-[[(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-5-yl] hydrogen carbonate;dihydrochloride
PubChem CID126686057
Molecular FormulaC25H32Cl2N4O5
Molecular Weight539.46 g/mol
Exact Mass538.17
IUPAC Name[6-hydroxy-14-methyl-15-[[(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-5-yl] hydrogen carbonate;dihydrochloride
SMILESCN1CCC(NCc2cc3cc4c(cc3n2C)CCCc2c-4[nH]c(=O)c(OC(=O)O)c2O)CC1.Cl.Cl
InChIInChI=1S/C25H30N4O5.2ClH/c1-28-8-6-16(7-9-28)26-13-17-10-15-11-19-14(12-20(15)29(17)2)4-3-5-18-21(19)27-24(31)23(22(18)30)34-25(32)33;;/h10-12,16,26H,3-9,13H2,1-2H3,(H,32,33)(H2,27,30,31);2*1H
InChIKeyQKYOVXWMHWORFN-UHFFFAOYSA-N
XLogP3.81
TPSA119.82 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.46
LogP ≤ 53.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze [6-hydroxy-14-methyl-15-[[(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-5-yl] hydrogen carbonate;dihydrochloride 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 [6-hydroxy-14-methyl-15-[[(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-5-yl] hydrogen carbonate;dihydrochloride?
The IUPAC name of [6-hydroxy-14-methyl-15-[[(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-5-yl] hydrogen carbonate;dihydrochloride (CID 126686057) is [6-hydroxy-14-methyl-15-[[(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-5-yl] hydrogen carbonate;dihydrochloride.
What is the SMILES notation for [6-hydroxy-14-methyl-15-[[(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-5-yl] hydrogen carbonate;dihydrochloride?
The canonical SMILES for [6-hydroxy-14-methyl-15-[[(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-5-yl] hydrogen carbonate;dihydrochloride is CN1CCC(NCc2cc3cc4c(cc3n2C)CCCc2c-4[nH]c(=O)c(OC(=O)O)c2O)CC1.Cl.Cl.
What is the InChIKey of [6-hydroxy-14-methyl-15-[[(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-5-yl] hydrogen carbonate;dihydrochloride?
The InChIKey is QKYOVXWMHWORFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5.2ClH/c1-28-8-6-16(7-9-28)26-13-17-10-15-11-19-14(12-20(15)29(17)2)4-3-5-18-21(19)27-24(31)23(22(18)30)34-25(32)33;;/h10-12,16,26H,3-9,13H2,1-2H3,(H,32,33)(H2,27,30,31);2*1H.
What are the key properties of [6-hydroxy-14-methyl-15-[[(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-5-yl] hydrogen carbonate;dihydrochloride?
[6-hydroxy-14-methyl-15-[[(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-5-yl] hydrogen carbonate;dihydrochloride has a molecular weight of 539.46 g/mol, XLogP of 3.81, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-hydroxy-14-methyl-15-[[(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-5-yl] hydrogen carbonate;dihydrochloride is sourced from PubChem (CID 126686057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).