(3-prop-2-enoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone

C21H20N2O5 — CID 141466058

IUPAC(3-prop-2-enoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESC=CCOc1nc2ccccc2nc1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H20N2O5/c1-5-10-28-21-18(22-14-8-6-7-9-15(14)23-21)19(24)13-11-16(25-2)20(27-4)17(12-13)26-3/h5-9,11-12H,1,10H2,2-4H3
InChIKeySIKSDAGKVLGIHA-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.45
Rot. Bonds8

About (3-prop-2-enoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone

(3-prop-2-enoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 141466058) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is (3-prop-2-enoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-prop-2-enoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID141466058
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name(3-prop-2-enoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESC=CCOc1nc2ccccc2nc1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H20N2O5/c1-5-10-28-21-18(22-14-8-6-7-9-15(14)23-21)19(24)13-11-16(25-2)20(27-4)17(12-13)26-3/h5-9,11-12H,1,10H2,2-4H3
InChIKeySIKSDAGKVLGIHA-UHFFFAOYSA-N
XLogP3.45
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-prop-2-enoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (3-prop-2-enoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 141466058) is (3-prop-2-enoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (3-prop-2-enoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (3-prop-2-enoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone is C=CCOc1nc2ccccc2nc1C(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (3-prop-2-enoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is SIKSDAGKVLGIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-5-10-28-21-18(22-14-8-6-7-9-15(14)23-21)19(24)13-11-16(25-2)20(27-4)17(12-13)26-3/h5-9,11-12H,1,10H2,2-4H3.
What are the key properties of (3-prop-2-enoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
(3-prop-2-enoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 380.40 g/mol, XLogP of 3.45, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-prop-2-enoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 141466058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).