4-[2-(furan-2-yl)prop-2-enoyl]-7-methoxy-1,3-dihydroquinoxalin-2-one

C16H14N2O4 — CID 163741261

IUPAC4-[2-(furan-2-yl)prop-2-enoyl]-7-methoxy-1,3-dihydroquinoxalin-2-one
SMILESC=C(C(=O)N1CC(=O)Nc2cc(OC)ccc21)c1ccco1
InChIInChI=1S/C16H14N2O4/c1-10(14-4-3-7-22-14)16(20)18-9-15(19)17-12-8-11(21-2)5-6-13(12)18/h3-8H,1,9H2,2H3,(H,17,19)
InChIKeyLHYKRTIHQJRMKS-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.29
Rot. Bonds3

About 4-[2-(furan-2-yl)prop-2-enoyl]-7-methoxy-1,3-dihydroquinoxalin-2-one

4-[2-(furan-2-yl)prop-2-enoyl]-7-methoxy-1,3-dihydroquinoxalin-2-one (PubChem CID 163741261) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 4-[2-(furan-2-yl)prop-2-enoyl]-7-methoxy-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(furan-2-yl)prop-2-enoyl]-7-methoxy-1,3-dihydroquinoxalin-2-one
PubChem CID163741261
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name4-[2-(furan-2-yl)prop-2-enoyl]-7-methoxy-1,3-dihydroquinoxalin-2-one
SMILESC=C(C(=O)N1CC(=O)Nc2cc(OC)ccc21)c1ccco1
InChIInChI=1S/C16H14N2O4/c1-10(14-4-3-7-22-14)16(20)18-9-15(19)17-12-8-11(21-2)5-6-13(12)18/h3-8H,1,9H2,2H3,(H,17,19)
InChIKeyLHYKRTIHQJRMKS-UHFFFAOYSA-N
XLogP2.29
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

furan-2-yl-(6-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110663052
4-(2,5-dimethoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 16864034
4-(2-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 24568356
(3R)-1-(2,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-3-methylpiperazin-2-one
CID 93321609
4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 75415390
(2-fluoro-4-methoxyphenyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 38910645
4-[(2R)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8789013
1-[2-(furan-2-yl)-2-oxoethyl]-5-methoxyindole-2,3-dione
CID 62023854
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (2R)-2-(furan-2-carbonylamino)propanoate
CID 2091720
CID 110212601
CID 110212601
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 38910909
4-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 26860602

Frequently Asked Questions

What is the IUPAC name of 4-[2-(furan-2-yl)prop-2-enoyl]-7-methoxy-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(furan-2-yl)prop-2-enoyl]-7-methoxy-1,3-dihydroquinoxalin-2-one (CID 163741261) is 4-[2-(furan-2-yl)prop-2-enoyl]-7-methoxy-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(furan-2-yl)prop-2-enoyl]-7-methoxy-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(furan-2-yl)prop-2-enoyl]-7-methoxy-1,3-dihydroquinoxalin-2-one is C=C(C(=O)N1CC(=O)Nc2cc(OC)ccc21)c1ccco1.
What is the InChIKey of 4-[2-(furan-2-yl)prop-2-enoyl]-7-methoxy-1,3-dihydroquinoxalin-2-one?
The InChIKey is LHYKRTIHQJRMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-10(14-4-3-7-22-14)16(20)18-9-15(19)17-12-8-11(21-2)5-6-13(12)18/h3-8H,1,9H2,2H3,(H,17,19).
What are the key properties of 4-[2-(furan-2-yl)prop-2-enoyl]-7-methoxy-1,3-dihydroquinoxalin-2-one?
4-[2-(furan-2-yl)prop-2-enoyl]-7-methoxy-1,3-dihydroquinoxalin-2-one has a molecular weight of 298.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(furan-2-yl)prop-2-enoyl]-7-methoxy-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 163741261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).