(E)-3-[3-(4-methoxyphenyl)quinolin-2-yl]-1-pyridin-2-ylprop-2-en-1-one

C24H18N2O2 — CID 71570952

IUPAC(E)-3-[3-(4-methoxyphenyl)quinolin-2-yl]-1-pyridin-2-ylprop-2-en-1-one
SMILESCOc1ccc(-c2cc3ccccc3nc2/C=C/C(=O)c2ccccn2)cc1
InChIInChI=1S/C24H18N2O2/c1-28-19-11-9-17(10-12-19)20-16-18-6-2-3-7-21(18)26-22(20)13-14-24(27)23-8-4-5-15-25-23/h2-16H,1H3/b14-13+
InChIKeyRDUKXDNYPPYAHN-BUHFOSPRSA-N
MW366.42 g/mol
LogP5.20
Rot. Bonds5

About (E)-3-[3-(4-methoxyphenyl)quinolin-2-yl]-1-pyridin-2-ylprop-2-en-1-one

(E)-3-[3-(4-methoxyphenyl)quinolin-2-yl]-1-pyridin-2-ylprop-2-en-1-one (PubChem CID 71570952) has the molecular formula C24H18N2O2 and a molecular weight of 366.42 g/mol. Its IUPAC name is (E)-3-[3-(4-methoxyphenyl)quinolin-2-yl]-1-pyridin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[3-(4-methoxyphenyl)quinolin-2-yl]-1-pyridin-2-ylprop-2-en-1-one
PubChem CID71570952
Molecular FormulaC24H18N2O2
Molecular Weight366.42 g/mol
Exact Mass366.14
IUPAC Name(E)-3-[3-(4-methoxyphenyl)quinolin-2-yl]-1-pyridin-2-ylprop-2-en-1-one
SMILESCOc1ccc(-c2cc3ccccc3nc2/C=C/C(=O)c2ccccn2)cc1
InChIInChI=1S/C24H18N2O2/c1-28-19-11-9-17(10-12-19)20-16-18-6-2-3-7-21(18)26-22(20)13-14-24(27)23-8-4-5-15-25-23/h2-16H,1H3/b14-13+
InChIKeyRDUKXDNYPPYAHN-BUHFOSPRSA-N
XLogP5.20
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.20
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-(4-methoxyphenyl)quinolin-2-yl]-1-pyridin-2-ylprop-2-en-1-one?
The IUPAC name of (E)-3-[3-(4-methoxyphenyl)quinolin-2-yl]-1-pyridin-2-ylprop-2-en-1-one (CID 71570952) is (E)-3-[3-(4-methoxyphenyl)quinolin-2-yl]-1-pyridin-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[3-(4-methoxyphenyl)quinolin-2-yl]-1-pyridin-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-[3-(4-methoxyphenyl)quinolin-2-yl]-1-pyridin-2-ylprop-2-en-1-one is COc1ccc(-c2cc3ccccc3nc2/C=C/C(=O)c2ccccn2)cc1.
What is the InChIKey of (E)-3-[3-(4-methoxyphenyl)quinolin-2-yl]-1-pyridin-2-ylprop-2-en-1-one?
The InChIKey is RDUKXDNYPPYAHN-BUHFOSPRSA-N. The full InChI is InChI=1S/C24H18N2O2/c1-28-19-11-9-17(10-12-19)20-16-18-6-2-3-7-21(18)26-22(20)13-14-24(27)23-8-4-5-15-25-23/h2-16H,1H3/b14-13+.
What are the key properties of (E)-3-[3-(4-methoxyphenyl)quinolin-2-yl]-1-pyridin-2-ylprop-2-en-1-one?
(E)-3-[3-(4-methoxyphenyl)quinolin-2-yl]-1-pyridin-2-ylprop-2-en-1-one has a molecular weight of 366.42 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-(4-methoxyphenyl)quinolin-2-yl]-1-pyridin-2-ylprop-2-en-1-one is sourced from PubChem (CID 71570952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).