N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1,4-diazepane-1-carboxamide

C22H21N5O3 — CID 11661346

IUPACN-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1,4-diazepane-1-carboxamide
SMILESO=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCCNCC1
InChIInChI=1S/C22H21N5O3/c28-22(27-10-3-8-23-9-11-27)24-15-6-7-16-17(14-15)26-21(19-5-2-13-30-19)20(25-16)18-4-1-12-29-18/h1-2,4-7,12-14,23H,3,8-11H2,(H,24,28)
InChIKeyUIWWMECROIYJTC-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.98
Rot. Bonds3

About N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1,4-diazepane-1-carboxamide

N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1,4-diazepane-1-carboxamide (PubChem CID 11661346) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1,4-diazepane-1-carboxamide
PubChem CID11661346
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC NameN-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1,4-diazepane-1-carboxamide
SMILESO=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCCNCC1
InChIInChI=1S/C22H21N5O3/c28-22(27-10-3-8-23-9-11-27)24-15-6-7-16-17(14-15)26-21(19-5-2-13-30-19)20(25-16)18-4-1-12-29-18/h1-2,4-7,12-14,23H,3,8-11H2,(H,24,28)
InChIKeyUIWWMECROIYJTC-UHFFFAOYSA-N
XLogP3.98
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1,4-diazepane-1-carboxamide with MolForge

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Related Compounds

N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-4-methylpiperidine-1-carboxamide
CID 2924978
N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 3792955
N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 16771863
N-phenyl-1,4-diazepane-1-carboxamide;hydrochloride
CID 42886604
1,4-diazepan-1-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride
CID 119417177
ethyl 1-[[2,3-bis(furan-2-yl)quinoxalin-6-yl]carbamothioyl]piperidine-4-carboxylate
CID 1072904
N-quinoxalin-6-ylpiperidine-1-carboxamide
CID 798080
N-(4-methoxyphenyl)-1,6-diazacycloundecane-1-carboxamide
CID 144843106
1,4-diazepan-1-yl-[3-(furan-2-yl)-1-phenylpyrazol-5-yl]methanone;hydrochloride
CID 119414159
N-(1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 108811781
N-(1-methylpyrrol-3-yl)piperazine-1-carboxamide
CID 82283727
N-(4-piperazin-1-ylphenyl)pyrrolidine-1-carboxamide
CID 79160722

Frequently Asked Questions

What is the IUPAC name of N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1,4-diazepane-1-carboxamide?
The IUPAC name of N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1,4-diazepane-1-carboxamide (CID 11661346) is N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1,4-diazepane-1-carboxamide is O=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCCNCC1.
What is the InChIKey of N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1,4-diazepane-1-carboxamide?
The InChIKey is UIWWMECROIYJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c28-22(27-10-3-8-23-9-11-27)24-15-6-7-16-17(14-15)26-21(19-5-2-13-30-19)20(25-16)18-4-1-12-29-18/h1-2,4-7,12-14,23H,3,8-11H2,(H,24,28).
What are the key properties of N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1,4-diazepane-1-carboxamide?
N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1,4-diazepane-1-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 11661346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).