1-[2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one

C19H18N4O4 — CID 32529717

IUPAC1-[2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
SMILESO=C(Cn1c(=O)cnc2ccccc21)N1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C19H18N4O4/c24-17-11-20-15-3-1-2-4-16(15)23(17)12-18(25)21-6-8-22(9-7-21)19(26)14-5-10-27-13-14/h1-5,10-11,13H,6-9,12H2
InChIKeyCUBRLQZORCUYOO-UHFFFAOYSA-N
MW366.38 g/mol
LogP0.97
Rot. Bonds3

About 1-[2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one

1-[2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one (PubChem CID 32529717) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 1-[2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
PubChem CID32529717
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name1-[2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
SMILESO=C(Cn1c(=O)cnc2ccccc21)N1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C19H18N4O4/c24-17-11-20-15-3-1-2-4-16(15)23(17)12-18(25)21-6-8-22(9-7-21)19(26)14-5-10-27-13-14/h1-5,10-11,13H,6-9,12H2
InChIKeyCUBRLQZORCUYOO-UHFFFAOYSA-N
XLogP0.97
TPSA88.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-morpholin-4-yl-2-oxoethyl)quinoxalin-2-one
CID 8892399
1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 56816771
1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 8851893
1-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 27799698
1-[2-(1-oxa-9-azaspiro[4.6]undecan-9-yl)-2-oxoethyl]quinoxalin-2-one
CID 72919012
N-butan-2-yl-2-[4-[2-(2-oxoquinoxalin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 55563997
1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-oxoethyl]quinoxalin-2-one
CID 56819209
1-[2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 55868759
1-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 94637166
1-[2-(2-oxoquinoxalin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462621
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]quinoxalin-2-one
CID 2425815
2-(4-methoxyphenyl)-2-[4-[2-(2-oxoquinoxalin-1-yl)acetyl]piperazin-1-yl]acetonitrile
CID 78824020

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one?
The IUPAC name of 1-[2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one (CID 32529717) is 1-[2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one.
What is the SMILES notation for 1-[2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one?
The canonical SMILES for 1-[2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one is O=C(Cn1c(=O)cnc2ccccc21)N1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of 1-[2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one?
The InChIKey is CUBRLQZORCUYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c24-17-11-20-15-3-1-2-4-16(15)23(17)12-18(25)21-6-8-22(9-7-21)19(26)14-5-10-27-13-14/h1-5,10-11,13H,6-9,12H2.
What are the key properties of 1-[2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one?
1-[2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one has a molecular weight of 366.38 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one is sourced from PubChem (CID 32529717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).