7-[4-(furan-2-yl)piperazine-1-carbonyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one

C26H24N4O5 — CID 136727409

IUPAC7-[4-(furan-2-yl)piperazine-1-carbonyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one
SMILESCOc1ccc(C(O)=Cc2nc3ccc(C(=O)N4CCN(c5ccco5)CC4)cc3[nH]c2=O)cc1
InChIInChI=1S/C26H24N4O5/c1-34-19-7-4-17(5-8-19)23(31)16-22-25(32)28-21-15-18(6-9-20(21)27-22)26(33)30-12-10-29(11-13-30)24-3-2-14-35-24/h2-9,14-16,31H,10-13H2,1H3,(H,28,32)
InChIKeyNFZIMFQFWYKBKC-UHFFFAOYSA-N
MW472.50 g/mol
LogP3.54
Rot. Bonds5

About 7-[4-(furan-2-yl)piperazine-1-carbonyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one

7-[4-(furan-2-yl)piperazine-1-carbonyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one (PubChem CID 136727409) has the molecular formula C26H24N4O5 and a molecular weight of 472.50 g/mol. Its IUPAC name is 7-[4-(furan-2-yl)piperazine-1-carbonyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-[4-(furan-2-yl)piperazine-1-carbonyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one
PubChem CID136727409
Molecular FormulaC26H24N4O5
Molecular Weight472.50 g/mol
Exact Mass472.17
IUPAC Name7-[4-(furan-2-yl)piperazine-1-carbonyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one
SMILESCOc1ccc(C(O)=Cc2nc3ccc(C(=O)N4CCN(c5ccco5)CC4)cc3[nH]c2=O)cc1
InChIInChI=1S/C26H24N4O5/c1-34-19-7-4-17(5-8-19)23(31)16-22-25(32)28-21-15-18(6-9-20(21)27-22)26(33)30-12-10-29(11-13-30)24-3-2-14-35-24/h2-9,14-16,31H,10-13H2,1H3,(H,28,32)
InChIKeyNFZIMFQFWYKBKC-UHFFFAOYSA-N
XLogP3.54
TPSA111.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

7-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one
CID 136727445
3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethenyl]-7-(morpholine-4-carbonyl)-1H-quinoxalin-2-one
CID 136727434
3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethenyl]-7-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1H-quinoxalin-2-one
CID 136817919
3-[(Z)-2-(4-chlorophenyl)-2-hydroxyethenyl]-7-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1H-quinoxalin-2-one
CID 135949253
2-[(Z)-2-hydroxy-2-(4-methoxyphenyl)ethenyl]-3-oxo-N-(2-phenylethyl)-4H-quinoxaline-6-carboxamide
CID 135522116
N-(1-benzylpiperidin-4-yl)-2-[(Z)-2-hydroxy-2-(4-methoxyphenyl)ethenyl]-3-oxo-4H-quinoxaline-6-carboxamide
CID 135949211
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
(3-methoxyphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
CID 110643374
3-[(Z)-2-hydroxy-2-naphthalen-2-ylethenyl]-1H-quinoxalin-2-one
CID 135612995
[4-(furan-2-carbonyl)piperazin-1-yl]-(2-propan-2-yl-3H-benzimidazol-5-yl)methanone
CID 110801893
N-[(4-fluorophenyl)methyl]-2-[(Z)-2-hydroxy-2-(3-methoxyphenyl)ethenyl]-3-oxo-4H-quinoxaline-6-carboxamide
CID 135949220
7-chloro-3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-quinoxalin-2-one
CID 135493821

Frequently Asked Questions

What is the IUPAC name of 7-[4-(furan-2-yl)piperazine-1-carbonyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one?
The IUPAC name of 7-[4-(furan-2-yl)piperazine-1-carbonyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one (CID 136727409) is 7-[4-(furan-2-yl)piperazine-1-carbonyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 7-[4-(furan-2-yl)piperazine-1-carbonyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one?
The canonical SMILES for 7-[4-(furan-2-yl)piperazine-1-carbonyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one is COc1ccc(C(O)=Cc2nc3ccc(C(=O)N4CCN(c5ccco5)CC4)cc3[nH]c2=O)cc1.
What is the InChIKey of 7-[4-(furan-2-yl)piperazine-1-carbonyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one?
The InChIKey is NFZIMFQFWYKBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O5/c1-34-19-7-4-17(5-8-19)23(31)16-22-25(32)28-21-15-18(6-9-20(21)27-22)26(33)30-12-10-29(11-13-30)24-3-2-14-35-24/h2-9,14-16,31H,10-13H2,1H3,(H,28,32).
What are the key properties of 7-[4-(furan-2-yl)piperazine-1-carbonyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one?
7-[4-(furan-2-yl)piperazine-1-carbonyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one has a molecular weight of 472.50 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(furan-2-yl)piperazine-1-carbonyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 136727409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).