N-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]oxolane-2-carboxamide

C27H27N7O2 — CID 70872149

IUPACN-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(-c2ccc3ncc(N4CCN(c5cnccn5)CC4)nc3c2)cc1)C1CCCO1
InChIInChI=1S/C27H27N7O2/c35-27(24-2-1-15-36-24)31-21-6-3-19(4-7-21)20-5-8-22-23(16-20)32-26(18-30-22)34-13-11-33(12-14-34)25-17-28-9-10-29-25/h3-10,16-18,24H,1-2,11-15H2,(H,31,35)
InChIKeyFKSPFKVPHWXFCT-UHFFFAOYSA-N
MW481.56 g/mol
LogP3.53
Rot. Bonds5

About N-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]oxolane-2-carboxamide

N-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]oxolane-2-carboxamide (PubChem CID 70872149) has the molecular formula C27H27N7O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is N-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]oxolane-2-carboxamide
PubChem CID70872149
Molecular FormulaC27H27N7O2
Molecular Weight481.56 g/mol
Exact Mass481.22
IUPAC NameN-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(-c2ccc3ncc(N4CCN(c5cnccn5)CC4)nc3c2)cc1)C1CCCO1
InChIInChI=1S/C27H27N7O2/c35-27(24-2-1-15-36-24)31-21-6-3-19(4-7-21)20-5-8-22-23(16-20)32-26(18-30-22)34-13-11-33(12-14-34)25-17-28-9-10-29-25/h3-10,16-18,24H,1-2,11-15H2,(H,31,35)
InChIKeyFKSPFKVPHWXFCT-UHFFFAOYSA-N
XLogP3.53
TPSA96.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]oxolane-2-carboxamide (CID 70872149) is N-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]oxolane-2-carboxamide is O=C(Nc1ccc(-c2ccc3ncc(N4CCN(c5cnccn5)CC4)nc3c2)cc1)C1CCCO1.
What is the InChIKey of N-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]oxolane-2-carboxamide?
The InChIKey is FKSPFKVPHWXFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O2/c35-27(24-2-1-15-36-24)31-21-6-3-19(4-7-21)20-5-8-22-23(16-20)32-26(18-30-22)34-13-11-33(12-14-34)25-17-28-9-10-29-25/h3-10,16-18,24H,1-2,11-15H2,(H,31,35).
What are the key properties of N-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]oxolane-2-carboxamide?
N-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]oxolane-2-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 70872149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).