2-(3-cyanophenyl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide;4-piperidin-1-yl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]butanamide

C66H68N14O2 — CID 159130165

IUPAC2-(3-cyanophenyl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide;4-piperidin-1-yl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]butanamide
SMILESN#Cc1cccc(CC(=O)Nc2ccc(-c3ccc4ncc(N5CCN(Cc6cccnc6)CC5)nc4c3)cc2)c1.O=C(CCCN1CCCCC1)Nc1ccc(-c2ccc3ncc(N4CCN(Cc5cccnc5)CC4)nc3c2)cc1
InChIInChI=1S/C33H29N7O.C33H39N7O/c34-20-25-4-1-3-24(17-25)18-33(41)37-29-9-6-27(7-10-29)28-8-11-30-31(19-28)38-32(22-36-30)40-15-13-39(14-16-40)23-26-5-2-12-35-21-26;41-33(7-5-17-38-15-2-1-3-16-38)36-29-11-8-27(9-12-29)28-10-13-30-31(22-28)37-32(24-35-30)40-20-18-39(19-21-40)25-26-6-4-14-34-23-26/h1-12,17,19,21-22H,13-16,18,23H2,(H,37,41);4,6,8-14,22-24H,1-3,5,7,15-21,25H2,(H,36,41)
InChIKeyKGUBXXIBBIAYMC-UHFFFAOYSA-N
MW1089.37 g/mol
LogP10.29
Rot. Bonds16

About 2-(3-cyanophenyl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide;4-piperidin-1-yl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]butanamide

2-(3-cyanophenyl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide;4-piperidin-1-yl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]butanamide (PubChem CID 159130165) has the molecular formula C66H68N14O2 and a molecular weight of 1089.37 g/mol. Its IUPAC name is 2-(3-cyanophenyl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide;4-piperidin-1-yl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]butanamide.

Molecular Properties

Compound Name2-(3-cyanophenyl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide;4-piperidin-1-yl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]butanamide
PubChem CID159130165
Molecular FormulaC66H68N14O2
Molecular Weight1089.37 g/mol
Exact Mass1088.56
IUPAC Name2-(3-cyanophenyl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide;4-piperidin-1-yl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]butanamide
SMILESN#Cc1cccc(CC(=O)Nc2ccc(-c3ccc4ncc(N5CCN(Cc6cccnc6)CC5)nc4c3)cc2)c1.O=C(CCCN1CCCCC1)Nc1ccc(-c2ccc3ncc(N4CCN(Cc5cccnc5)CC4)nc3c2)cc1
InChIInChI=1S/C33H29N7O.C33H39N7O/c34-20-25-4-1-3-24(17-25)18-33(41)37-29-9-6-27(7-10-29)28-8-11-30-31(19-28)38-32(22-36-30)40-15-13-39(14-16-40)23-26-5-2-12-35-21-26;41-33(7-5-17-38-15-2-1-3-16-38)36-29-11-8-27(9-12-29)28-10-13-30-31(22-28)37-32(24-35-30)40-20-18-39(19-21-40)25-26-6-4-14-34-23-26/h1-12,17,19,21-22H,13-16,18,23H2,(H,37,41);4,6,8-14,22-24H,1-3,5,7,15-21,25H2,(H,36,41)
InChIKeyKGUBXXIBBIAYMC-UHFFFAOYSA-N
XLogP10.29
TPSA175.53 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001089.37
LogP ≤ 510.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 2-(3-cyanophenyl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide;4-piperidin-1-yl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]butanamide with MolForge

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Related Compounds

3-cyclopropyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propanamide
CID 67035302
2-(3-methyl-1,2-oxazol-5-yl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide
CID 67035407
1-cyclopropyl-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone
CID 160916995
1-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]hex-5-yn-2-one
CID 153148663
1-methyl-1-phenyl-3-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]urea
CID 67034956
1-methyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]indole-2-carboxamide
CID 67035150
1-(3-fluorophenyl)-3-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propan-2-one
CID 149146623
N-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]pentanamide
CID 67035131
2-[3-(aminomethyl)phenyl]-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetamide
CID 174665506
2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]-1-thiophen-3-ylethanone
CID 159308184
N-[4-[3-(4-hydroxysulfanylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide
CID 88961637
N-[4-[3-(3-benzylazetidin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide
CID 67035679

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenyl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide;4-piperidin-1-yl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]butanamide?
The IUPAC name of 2-(3-cyanophenyl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide;4-piperidin-1-yl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]butanamide (CID 159130165) is 2-(3-cyanophenyl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide;4-piperidin-1-yl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]butanamide.
What is the SMILES notation for 2-(3-cyanophenyl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide;4-piperidin-1-yl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]butanamide?
The canonical SMILES for 2-(3-cyanophenyl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide;4-piperidin-1-yl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]butanamide is N#Cc1cccc(CC(=O)Nc2ccc(-c3ccc4ncc(N5CCN(Cc6cccnc6)CC5)nc4c3)cc2)c1.O=C(CCCN1CCCCC1)Nc1ccc(-c2ccc3ncc(N4CCN(Cc5cccnc5)CC4)nc3c2)cc1.
What is the InChIKey of 2-(3-cyanophenyl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide;4-piperidin-1-yl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]butanamide?
The InChIKey is KGUBXXIBBIAYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N7O.C33H39N7O/c34-20-25-4-1-3-24(17-25)18-33(41)37-29-9-6-27(7-10-29)28-8-11-30-31(19-28)38-32(22-36-30)40-15-13-39(14-16-40)23-26-5-2-12-35-21-26;41-33(7-5-17-38-15-2-1-3-16-38)36-29-11-8-27(9-12-29)28-10-13-30-31(22-28)37-32(24-35-30)40-20-18-39(19-21-40)25-26-6-4-14-34-23-26/h1-12,17,19,21-22H,13-16,18,23H2,(H,37,41);4,6,8-14,22-24H,1-3,5,7,15-21,25H2,(H,36,41).
What are the key properties of 2-(3-cyanophenyl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide;4-piperidin-1-yl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]butanamide?
2-(3-cyanophenyl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide;4-piperidin-1-yl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]butanamide has a molecular weight of 1089.37 g/mol, XLogP of 10.29, 16 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenyl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide;4-piperidin-1-yl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]butanamide is sourced from PubChem (CID 159130165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).