potassium;6-methyl-4-[2-[4-[2-(1-methyl-7-oxoazepan-4-yl)ethoxy]phenyl]quinolin-6-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[2-[4-[2-(1-methyl-7-oxoazepan-4-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide

C71H71KN8O9S — CID 163422552

IUPACpotassium;6-methyl-4-[2-[4-[2-(1-methyl-7-oxoazepan-4-yl)ethoxy]phenyl]quinolin-6-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[2-[4-[2-(1-methyl-7-oxoazepan-4-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide
SMILESCN1CCC(CCOc2ccc(-c3ccc4cc(-c5cn(C)c(=O)c6[nH]ccc56)ccc4n3)cc2)CCC1=O.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5nc(-c6ccc(OCCC7CCC(=O)N(C)CC7)cc6)ccc5c4)cn(C)c(=O)c32)cc1.[K+].[OH-]
InChIInChI=1S/C39H38N4O5S.C32H32N4O3.K.H2O/c1-26-4-13-32(14-5-26)49(46,47)43-22-19-33-34(25-42(3)39(45)38(33)43)29-9-15-36-30(24-29)10-16-35(40-36)28-7-11-31(12-8-28)48-23-20-27-6-17-37(44)41(2)21-18-27;1-35-17-14-21(3-12-30(35)37)15-18-39-25-8-4-22(5-9-25)28-11-7-24-19-23(6-10-29(24)34-28)27-20-36(2)32(38)31-26(27)13-16-33-31;;/h4-5,7-16,19,22,24-25,27H,6,17-18,20-21,23H2,1-3H3;4-11,13,16,19-21,33H,3,12,14-15,17-18H2,1-2H3;;1H2/q;;+1;/p-1
InChIKeyAJRMBOVJKIDROR-UHFFFAOYSA-M
MW1251.56 g/mol
LogP9.40
Rot. Bonds14

About potassium;6-methyl-4-[2-[4-[2-(1-methyl-7-oxoazepan-4-yl)ethoxy]phenyl]quinolin-6-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[2-[4-[2-(1-methyl-7-oxoazepan-4-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide

potassium;6-methyl-4-[2-[4-[2-(1-methyl-7-oxoazepan-4-yl)ethoxy]phenyl]quinolin-6-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[2-[4-[2-(1-methyl-7-oxoazepan-4-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide (PubChem CID 163422552) has the molecular formula C71H71KN8O9S and a molecular weight of 1251.56 g/mol. Its IUPAC name is potassium;6-methyl-4-[2-[4-[2-(1-methyl-7-oxoazepan-4-yl)ethoxy]phenyl]quinolin-6-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[2-[4-[2-(1-methyl-7-oxoazepan-4-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide.

Molecular Properties

Compound Namepotassium;6-methyl-4-[2-[4-[2-(1-methyl-7-oxoazepan-4-yl)ethoxy]phenyl]quinolin-6-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[2-[4-[2-(1-methyl-7-oxoazepan-4-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide
PubChem CID163422552
Molecular FormulaC71H71KN8O9S
Molecular Weight1251.56 g/mol
Exact Mass1250.47
IUPAC Namepotassium;6-methyl-4-[2-[4-[2-(1-methyl-7-oxoazepan-4-yl)ethoxy]phenyl]quinolin-6-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[2-[4-[2-(1-methyl-7-oxoazepan-4-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide
SMILESCN1CCC(CCOc2ccc(-c3ccc4cc(-c5cn(C)c(=O)c6[nH]ccc56)ccc4n3)cc2)CCC1=O.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5nc(-c6ccc(OCCC7CCC(=O)N(C)CC7)cc6)ccc5c4)cn(C)c(=O)c32)cc1.[K+].[OH-]
InChIInChI=1S/C39H38N4O5S.C32H32N4O3.K.H2O/c1-26-4-13-32(14-5-26)49(46,47)43-22-19-33-34(25-42(3)39(45)38(33)43)29-9-15-36-30(24-29)10-16-35(40-36)28-7-11-31(12-8-28)48-23-20-27-6-17-37(44)41(2)21-18-27;1-35-17-14-21(3-12-30(35)37)15-18-39-25-8-4-22(5-9-25)28-11-7-24-19-23(6-10-29(24)34-28)27-20-36(2)32(38)31-26(27)13-16-33-31;;/h4-5,7-16,19,22,24-25,27H,6,17-18,20-21,23H2,1-3H3;4-11,13,16,19-21,33H,3,12,14-15,17-18H2,1-2H3;;1H2/q;;+1;/p-1
InChIKeyAJRMBOVJKIDROR-UHFFFAOYSA-M
XLogP9.40
TPSA213.72 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001251.56
LogP ≤ 59.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze potassium;6-methyl-4-[2-[4-[2-(1-methyl-7-oxoazepan-4-yl)ethoxy]phenyl]quinolin-6-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[2-[4-[2-(1-methyl-7-oxoazepan-4-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;6-methyl-4-[2-[4-[2-(1-methyl-7-oxoazepan-4-yl)ethoxy]phenyl]quinolin-6-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[2-[4-[2-(1-methyl-7-oxoazepan-4-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide?
The IUPAC name of potassium;6-methyl-4-[2-[4-[2-(1-methyl-7-oxoazepan-4-yl)ethoxy]phenyl]quinolin-6-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[2-[4-[2-(1-methyl-7-oxoazepan-4-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide (CID 163422552) is potassium;6-methyl-4-[2-[4-[2-(1-methyl-7-oxoazepan-4-yl)ethoxy]phenyl]quinolin-6-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[2-[4-[2-(1-methyl-7-oxoazepan-4-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide.
What is the SMILES notation for potassium;6-methyl-4-[2-[4-[2-(1-methyl-7-oxoazepan-4-yl)ethoxy]phenyl]quinolin-6-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[2-[4-[2-(1-methyl-7-oxoazepan-4-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide?
The canonical SMILES for potassium;6-methyl-4-[2-[4-[2-(1-methyl-7-oxoazepan-4-yl)ethoxy]phenyl]quinolin-6-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[2-[4-[2-(1-methyl-7-oxoazepan-4-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide is CN1CCC(CCOc2ccc(-c3ccc4cc(-c5cn(C)c(=O)c6[nH]ccc56)ccc4n3)cc2)CCC1=O.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5nc(-c6ccc(OCCC7CCC(=O)N(C)CC7)cc6)ccc5c4)cn(C)c(=O)c32)cc1.[K+].[OH-].
What is the InChIKey of potassium;6-methyl-4-[2-[4-[2-(1-methyl-7-oxoazepan-4-yl)ethoxy]phenyl]quinolin-6-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[2-[4-[2-(1-methyl-7-oxoazepan-4-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide?
The InChIKey is AJRMBOVJKIDROR-UHFFFAOYSA-M. The full InChI is InChI=1S/C39H38N4O5S.C32H32N4O3.K.H2O/c1-26-4-13-32(14-5-26)49(46,47)43-22-19-33-34(25-42(3)39(45)38(33)43)29-9-15-36-30(24-29)10-16-35(40-36)28-7-11-31(12-8-28)48-23-20-27-6-17-37(44)41(2)21-18-27;1-35-17-14-21(3-12-30(35)37)15-18-39-25-8-4-22(5-9-25)28-11-7-24-19-23(6-10-29(24)34-28)27-20-36(2)32(38)31-26(27)13-16-33-31;;/h4-5,7-16,19,22,24-25,27H,6,17-18,20-21,23H2,1-3H3;4-11,13,16,19-21,33H,3,12,14-15,17-18H2,1-2H3;;1H2/q;;+1;/p-1.
What are the key properties of potassium;6-methyl-4-[2-[4-[2-(1-methyl-7-oxoazepan-4-yl)ethoxy]phenyl]quinolin-6-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[2-[4-[2-(1-methyl-7-oxoazepan-4-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide?
potassium;6-methyl-4-[2-[4-[2-(1-methyl-7-oxoazepan-4-yl)ethoxy]phenyl]quinolin-6-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[2-[4-[2-(1-methyl-7-oxoazepan-4-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide has a molecular weight of 1251.56 g/mol, XLogP of 9.40, 14 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;6-methyl-4-[2-[4-[2-(1-methyl-7-oxoazepan-4-yl)ethoxy]phenyl]quinolin-6-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[2-[4-[2-(1-methyl-7-oxoazepan-4-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide is sourced from PubChem (CID 163422552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).