N-[2-fluoro-4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]benzamide

C30H25FN6O — CID 140597681

IUPACN-[2-fluoro-4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2ccc3ncc(N4CCN(c5ccncc5)CC4)nc3c2)cc1F)c1ccccc1
InChIInChI=1S/C30H25FN6O/c31-25-18-22(6-8-26(25)35-30(38)21-4-2-1-3-5-21)23-7-9-27-28(19-23)34-29(20-33-27)37-16-14-36(15-17-37)24-10-12-32-13-11-24/h1-13,18-20H,14-17H2,(H,35,38)
InChIKeyOJHNJSGWTQJAOD-UHFFFAOYSA-N
MW504.57 g/mol
LogP5.41
Rot. Bonds5

About N-[2-fluoro-4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]benzamide

N-[2-fluoro-4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]benzamide (PubChem CID 140597681) has the molecular formula C30H25FN6O and a molecular weight of 504.57 g/mol. Its IUPAC name is N-[2-fluoro-4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]benzamide
PubChem CID140597681
Molecular FormulaC30H25FN6O
Molecular Weight504.57 g/mol
Exact Mass504.21
IUPAC NameN-[2-fluoro-4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2ccc3ncc(N4CCN(c5ccncc5)CC4)nc3c2)cc1F)c1ccccc1
InChIInChI=1S/C30H25FN6O/c31-25-18-22(6-8-26(25)35-30(38)21-4-2-1-3-5-21)23-7-9-27-28(19-23)34-29(20-33-27)37-16-14-36(15-17-37)24-10-12-32-13-11-24/h1-13,18-20H,14-17H2,(H,35,38)
InChIKeyOJHNJSGWTQJAOD-UHFFFAOYSA-N
XLogP5.41
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.57
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
5-chloro-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]thiophene-2-carboxamide
CID 67035170
N-[4-[2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetyl]phenyl]acetamide
CID 157152050
1-pyridin-3-yl-3-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]propan-2-one
CID 152895241
2-[3-(aminomethyl)phenyl]-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetamide
CID 174665506
1-[4-(dimethylamino)phenyl]-3-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]propan-2-one
CID 157464006
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxyquinoxaline-6-carboxamide
CID 162733709
N-[3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 174911369
N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 172754016
2-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-propan-2-ylbenzamide
CID 67035276
N-[2-fluoro-4-(pyridin-4-ylamino)phenyl]benzamide
CID 175848692

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]benzamide?
The IUPAC name of N-[2-fluoro-4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]benzamide (CID 140597681) is N-[2-fluoro-4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]benzamide.
What is the SMILES notation for N-[2-fluoro-4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]benzamide?
The canonical SMILES for N-[2-fluoro-4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]benzamide is O=C(Nc1ccc(-c2ccc3ncc(N4CCN(c5ccncc5)CC4)nc3c2)cc1F)c1ccccc1.
What is the InChIKey of N-[2-fluoro-4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]benzamide?
The InChIKey is OJHNJSGWTQJAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN6O/c31-25-18-22(6-8-26(25)35-30(38)21-4-2-1-3-5-21)23-7-9-27-28(19-23)34-29(20-33-27)37-16-14-36(15-17-37)24-10-12-32-13-11-24/h1-13,18-20H,14-17H2,(H,35,38).
What are the key properties of N-[2-fluoro-4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]benzamide?
N-[2-fluoro-4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]benzamide has a molecular weight of 504.57 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]benzamide is sourced from PubChem (CID 140597681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).