(E)-3-(3-methoxyphenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one

C19H16N2O2 — CID 71589054

IUPAC(E)-3-(3-methoxyphenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one
SMILESCOc1cccc(/C=C/C(=O)c2nc3ccccc3nc2C)c1
InChIInChI=1S/C19H16N2O2/c1-13-19(21-17-9-4-3-8-16(17)20-13)18(22)11-10-14-6-5-7-15(12-14)23-2/h3-12H,1-2H3/b11-10+
InChIKeyWOZDVUNDWKSOLV-ZHACJKMWSA-N
MW304.35 g/mol
LogP3.84
Rot. Bonds4

About (E)-3-(3-methoxyphenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one

(E)-3-(3-methoxyphenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one (PubChem CID 71589054) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is (E)-3-(3-methoxyphenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3-methoxyphenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one
PubChem CID71589054
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name(E)-3-(3-methoxyphenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one
SMILESCOc1cccc(/C=C/C(=O)c2nc3ccccc3nc2C)c1
InChIInChI=1S/C19H16N2O2/c1-13-19(21-17-9-4-3-8-16(17)20-13)18(22)11-10-14-6-5-7-15(12-14)23-2/h3-12H,1-2H3/b11-10+
InChIKeyWOZDVUNDWKSOLV-ZHACJKMWSA-N
XLogP3.84
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methoxyphenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(3-methoxyphenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one (CID 71589054) is (E)-3-(3-methoxyphenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(3-methoxyphenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(3-methoxyphenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one is COc1cccc(/C=C/C(=O)c2nc3ccccc3nc2C)c1.
What is the InChIKey of (E)-3-(3-methoxyphenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one?
The InChIKey is WOZDVUNDWKSOLV-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-13-19(21-17-9-4-3-8-16(17)20-13)18(22)11-10-14-6-5-7-15(12-14)23-2/h3-12H,1-2H3/b11-10+.
What are the key properties of (E)-3-(3-methoxyphenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one?
(E)-3-(3-methoxyphenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one has a molecular weight of 304.35 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methoxyphenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one is sourced from PubChem (CID 71589054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).