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

C23H22N4O3 — CID 2924978

IUPACN-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)CC1
InChIInChI=1S/C23H22N4O3/c1-15-8-10-27(11-9-15)23(28)24-16-6-7-17-18(14-16)26-22(20-5-3-13-30-20)21(25-17)19-4-2-12-29-19/h2-7,12-15H,8-11H2,1H3,(H,24,28)
InChIKeyUPQDTYLDHWYFLW-UHFFFAOYSA-N
MW402.45 g/mol
LogP5.41
Rot. Bonds3

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

N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-4-methylpiperidine-1-carboxamide (PubChem CID 2924978) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-4-methylpiperidine-1-carboxamide
PubChem CID2924978
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)CC1
InChIInChI=1S/C23H22N4O3/c1-15-8-10-27(11-9-15)23(28)24-16-6-7-17-18(14-16)26-22(20-5-3-13-30-20)21(25-17)19-4-2-12-29-19/h2-7,12-15H,8-11H2,1H3,(H,24,28)
InChIKeyUPQDTYLDHWYFLW-UHFFFAOYSA-N
XLogP5.41
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.45
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1,4-diazepane-1-carboxamide
CID 11661346
ethyl 1-[[2,3-bis(furan-2-yl)quinoxalin-6-yl]carbamothioyl]piperidine-4-carboxylate
CID 1072904
N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 3792955
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
CID 23773676
4-methyl-N-quinolin-3-ylpiperidine-1-carboxamide
CID 115582764
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
N-(2,3-dimethylquinoxalin-6-yl)-4-methylpiperidine-1-carbothioamide
CID 797648
[3-(furan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 168524923
N-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223585
2-fluoro-4-[(4-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 107793053
4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide
CID 60546042
N-(2,3-dipyridin-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide
CID 5013877

Frequently Asked Questions

What is the IUPAC name of N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-4-methylpiperidine-1-carboxamide (CID 2924978) is N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)CC1.
What is the InChIKey of N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-4-methylpiperidine-1-carboxamide?
The InChIKey is UPQDTYLDHWYFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-15-8-10-27(11-9-15)23(28)24-16-6-7-17-18(14-16)26-22(20-5-3-13-30-20)21(25-17)19-4-2-12-29-19/h2-7,12-15H,8-11H2,1H3,(H,24,28).
What are the key properties of N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-4-methylpiperidine-1-carboxamide?
N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-4-methylpiperidine-1-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 2924978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).