5-chloro-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]thiophene-2-carboxamide

C28H23ClN6OS — CID 67035170

IUPAC5-chloro-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-c2ccc3ncc(N4CCN(c5ccncc5)CC4)nc3c2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C28H23ClN6OS/c29-26-8-7-25(37-26)28(36)32-21-4-1-19(2-5-21)20-3-6-23-24(17-20)33-27(18-31-23)35-15-13-34(14-16-35)22-9-11-30-12-10-22/h1-12,17-18H,13-16H2,(H,32,36)
InChIKeyPUKKLRLAVBGCNA-UHFFFAOYSA-N
MW527.05 g/mol
LogP5.99
Rot. Bonds5

About 5-chloro-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]thiophene-2-carboxamide

5-chloro-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]thiophene-2-carboxamide (PubChem CID 67035170) has the molecular formula C28H23ClN6OS and a molecular weight of 527.05 g/mol. Its IUPAC name is 5-chloro-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]thiophene-2-carboxamide
PubChem CID67035170
Molecular FormulaC28H23ClN6OS
Molecular Weight527.05 g/mol
Exact Mass526.13
IUPAC Name5-chloro-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-c2ccc3ncc(N4CCN(c5ccncc5)CC4)nc3c2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C28H23ClN6OS/c29-26-8-7-25(37-26)28(36)32-21-4-1-19(2-5-21)20-3-6-23-24(17-20)33-27(18-31-23)35-15-13-34(14-16-35)22-9-11-30-12-10-22/h1-12,17-18H,13-16H2,(H,32,36)
InChIKeyPUKKLRLAVBGCNA-UHFFFAOYSA-N
XLogP5.99
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.05
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-chloro-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]thiophene-2-carboxamide with MolForge

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Related Compounds

2-fluoro-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]benzamide
CID 67035752
2-(4-fluorophenyl)-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetamide
CID 67035435
N-[4-[2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetyl]phenyl]acetamide
CID 157152050
N-[2-fluoro-4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]benzamide
CID 140597681
1-pyridin-3-yl-3-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]propan-2-one
CID 152895241
1-[4-(dimethylamino)phenyl]-3-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]propan-2-one
CID 157464006
N-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]pentanamide
CID 67035131
N-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]oxolane-2-carboxamide
CID 70872149
N-[4-[3-(4-hydroxysulfanylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide
CID 88961637
1-methyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]indole-2-carboxamide
CID 67035150
5-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 17435952
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxyquinoxaline-6-carboxamide
CID 162733709

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]thiophene-2-carboxamide (CID 67035170) is 5-chloro-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(-c2ccc3ncc(N4CCN(c5ccncc5)CC4)nc3c2)cc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is PUKKLRLAVBGCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN6OS/c29-26-8-7-25(37-26)28(36)32-21-4-1-19(2-5-21)20-3-6-23-24(17-20)33-27(18-31-23)35-15-13-34(14-16-35)22-9-11-30-12-10-22/h1-12,17-18H,13-16H2,(H,32,36).
What are the key properties of 5-chloro-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]thiophene-2-carboxamide?
5-chloro-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 527.05 g/mol, XLogP of 5.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 67035170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).