N-(5-chloro-2-pyridinyl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyrazin-2-ylquinoline-8-carboxamide

C136H127ClF4N20O7 — CID 159183013

IUPACN-(5-chloro-2-pyridinyl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyrazin-2-ylquinoline-8-carboxamide
SMILESCC(F)(F)c1cccc(-c2ccc3cccc(C(=O)Nc4ccc(CN5CCCC5)cn4)c3n2)c1.CC(F)c1cccc(-c2ccc3cccc(C(=O)Nc4cccc(CN5CCOCC5)c4)c3n2)c1.CC(F)c1cccc(-c2ccc3cccc(C(=O)Nc4cccc(CN5CCOCC5)n4)c3n2)c1.O=C(Nc1ccc(Cl)cn1)c1cccc2ccc(-c3cccc(N4CCCCC4)c3)nc12.O=C(Nc1cnccn1)c1cccc2ccc(-c3cccc(N4CCCCC4)c3)nc12
InChIInChI=1S/C29H28FN3O2.C28H26F2N4O.C28H27FN4O2.C26H23ClN4O.C25H23N5O/c1-20(30)23-7-3-8-24(18-23)27-12-11-22-6-4-10-26(28(22)32-27)29(34)31-25-9-2-5-21(17-25)19-33-13-15-35-16-14-33;1-28(29,30)22-8-4-7-21(16-22)24-12-11-20-6-5-9-23(26(20)32-24)27(35)33-25-13-10-19(17-31-25)18-34-14-2-3-15-34;1-19(29)21-6-2-7-22(17-21)25-12-11-20-5-3-9-24(27(20)31-25)28(34)32-26-10-4-8-23(30-26)18-33-13-15-35-16-14-33;27-20-11-13-24(28-17-20)30-26(32)22-9-5-6-18-10-12-23(29-25(18)22)19-7-4-8-21(16-19)31-14-2-1-3-15-31;31-25(29-23-17-26-12-13-27-23)21-9-5-6-18-10-11-22(28-24(18)21)19-7-4-8-20(16-19)30-14-2-1-3-15-30/h2-12,17-18,20H,13-16,19H2,1H3,(H,31,34);4-13,16-17H,2-3,14-15,18H2,1H3,(H,31,33,35);2-12,17,19H,13-16,18H2,1H3,(H,30,32,34);4-13,16-17H,1-3,14-15H2,(H,28,30,32);4-13,16-17H,1-3,14-15H2,(H,27,29,31)
InChIKeyKNDFKMMVTWODPA-UHFFFAOYSA-N
MW2265.09 g/mol
LogP28.81
Rot. Bonds26

About N-(5-chloro-2-pyridinyl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyrazin-2-ylquinoline-8-carboxamide

N-(5-chloro-2-pyridinyl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyrazin-2-ylquinoline-8-carboxamide (PubChem CID 159183013) has the molecular formula C136H127ClF4N20O7 and a molecular weight of 2265.09 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyrazin-2-ylquinoline-8-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyrazin-2-ylquinoline-8-carboxamide
PubChem CID159183013
Molecular FormulaC136H127ClF4N20O7
Molecular Weight2265.09 g/mol
Exact Mass2262.98
IUPAC NameN-(5-chloro-2-pyridinyl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyrazin-2-ylquinoline-8-carboxamide
SMILESCC(F)(F)c1cccc(-c2ccc3cccc(C(=O)Nc4ccc(CN5CCCC5)cn4)c3n2)c1.CC(F)c1cccc(-c2ccc3cccc(C(=O)Nc4cccc(CN5CCOCC5)c4)c3n2)c1.CC(F)c1cccc(-c2ccc3cccc(C(=O)Nc4cccc(CN5CCOCC5)n4)c3n2)c1.O=C(Nc1ccc(Cl)cn1)c1cccc2ccc(-c3cccc(N4CCCCC4)c3)nc12.O=C(Nc1cnccn1)c1cccc2ccc(-c3cccc(N4CCCCC4)c3)nc12
InChIInChI=1S/C29H28FN3O2.C28H26F2N4O.C28H27FN4O2.C26H23ClN4O.C25H23N5O/c1-20(30)23-7-3-8-24(18-23)27-12-11-22-6-4-10-26(28(22)32-27)29(34)31-25-9-2-5-21(17-25)19-33-13-15-35-16-14-33;1-28(29,30)22-8-4-7-21(16-22)24-12-11-20-6-5-9-23(26(20)32-24)27(35)33-25-13-10-19(17-31-25)18-34-14-2-3-15-34;1-19(29)21-6-2-7-22(17-21)25-12-11-20-5-3-9-24(27(20)31-25)28(34)32-26-10-4-8-23(30-26)18-33-13-15-35-16-14-33;27-20-11-13-24(28-17-20)30-26(32)22-9-5-6-18-10-12-23(29-25(18)22)19-7-4-8-21(16-19)31-14-2-1-3-15-31;31-25(29-23-17-26-12-13-27-23)21-9-5-6-18-10-11-22(28-24(18)21)19-7-4-8-20(16-19)30-14-2-1-3-15-30/h2-12,17-18,20H,13-16,19H2,1H3,(H,31,34);4-13,16-17H,2-3,14-15,18H2,1H3,(H,31,33,35);2-12,17,19H,13-16,18H2,1H3,(H,30,32,34);4-13,16-17H,1-3,14-15H2,(H,28,30,32);4-13,16-17H,1-3,14-15H2,(H,27,29,31)
InChIKeyKNDFKMMVTWODPA-UHFFFAOYSA-N
XLogP28.81
TPSA309.06 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds26
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002265.09
LogP ≤ 528.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze N-(5-chloro-2-pyridinyl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyrazin-2-ylquinoline-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyrazin-2-ylquinoline-8-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyrazin-2-ylquinoline-8-carboxamide (CID 159183013) is N-(5-chloro-2-pyridinyl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyrazin-2-ylquinoline-8-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyrazin-2-ylquinoline-8-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyrazin-2-ylquinoline-8-carboxamide is CC(F)(F)c1cccc(-c2ccc3cccc(C(=O)Nc4ccc(CN5CCCC5)cn4)c3n2)c1.CC(F)c1cccc(-c2ccc3cccc(C(=O)Nc4cccc(CN5CCOCC5)c4)c3n2)c1.CC(F)c1cccc(-c2ccc3cccc(C(=O)Nc4cccc(CN5CCOCC5)n4)c3n2)c1.O=C(Nc1ccc(Cl)cn1)c1cccc2ccc(-c3cccc(N4CCCCC4)c3)nc12.O=C(Nc1cnccn1)c1cccc2ccc(-c3cccc(N4CCCCC4)c3)nc12.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyrazin-2-ylquinoline-8-carboxamide?
The InChIKey is KNDFKMMVTWODPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN3O2.C28H26F2N4O.C28H27FN4O2.C26H23ClN4O.C25H23N5O/c1-20(30)23-7-3-8-24(18-23)27-12-11-22-6-4-10-26(28(22)32-27)29(34)31-25-9-2-5-21(17-25)19-33-13-15-35-16-14-33;1-28(29,30)22-8-4-7-21(16-22)24-12-11-20-6-5-9-23(26(20)32-24)27(35)33-25-13-10-19(17-31-25)18-34-14-2-3-15-34;1-19(29)21-6-2-7-22(17-21)25-12-11-20-5-3-9-24(27(20)31-25)28(34)32-26-10-4-8-23(30-26)18-33-13-15-35-16-14-33;27-20-11-13-24(28-17-20)30-26(32)22-9-5-6-18-10-12-23(29-25(18)22)19-7-4-8-21(16-19)31-14-2-1-3-15-31;31-25(29-23-17-26-12-13-27-23)21-9-5-6-18-10-11-22(28-24(18)21)19-7-4-8-20(16-19)30-14-2-1-3-15-30/h2-12,17-18,20H,13-16,19H2,1H3,(H,31,34);4-13,16-17H,2-3,14-15,18H2,1H3,(H,31,33,35);2-12,17,19H,13-16,18H2,1H3,(H,30,32,34);4-13,16-17H,1-3,14-15H2,(H,28,30,32);4-13,16-17H,1-3,14-15H2,(H,27,29,31).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyrazin-2-ylquinoline-8-carboxamide?
N-(5-chloro-2-pyridinyl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyrazin-2-ylquinoline-8-carboxamide has a molecular weight of 2265.09 g/mol, XLogP of 28.81, 26 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyrazin-2-ylquinoline-8-carboxamide is sourced from PubChem (CID 159183013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).