(E)-1-(4-ethoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one

C20H17NO2 — CID 11833608

IUPAC(E)-1-(4-ethoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one
SMILESCCOc1ccc(C(=O)/C=C/c2cnc3ccccc3c2)cc1
InChIInChI=1S/C20H17NO2/c1-2-23-18-10-8-16(9-11-18)20(22)12-7-15-13-17-5-3-4-6-19(17)21-14-15/h3-14H,2H2,1H3/b12-7+
InChIKeyZAJLGUCWMJFLOY-KPKJPENVSA-N
MW303.36 g/mol
LogP4.53
Rot. Bonds5

About (E)-1-(4-ethoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one

(E)-1-(4-ethoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one (PubChem CID 11833608) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is (E)-1-(4-ethoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-ethoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one
PubChem CID11833608
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name(E)-1-(4-ethoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one
SMILESCCOc1ccc(C(=O)/C=C/c2cnc3ccccc3c2)cc1
InChIInChI=1S/C20H17NO2/c1-2-23-18-10-8-16(9-11-18)20(22)12-7-15-13-17-5-3-4-6-19(17)21-14-15/h3-14H,2H2,1H3/b12-7+
InChIKeyZAJLGUCWMJFLOY-KPKJPENVSA-N
XLogP4.53
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(4-methoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one
CID 10935131
(E)-1-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-3-quinolin-3-ylprop-2-en-1-one
CID 10473638
1-(4-ethoxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 2880362
(E)-1-(4-ethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 5346015
(Z)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 92913105
(E)-3-quinolin-3-ylprop-2-enoate
CID 6986523
(E)-1-(4-ethoxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 27818685
3-[4-(dimethylamino)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 2880876
3-(4-bromophenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 2880500
(Z)-3-[4-(diethylamino)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 54604270
[4-[3-(4-ethoxyphenyl)prop-2-enoyl]phenyl] 4-methoxybenzoate
CID 3529372
(E)-3-(3-chloro-4-hydroxyphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 52771907

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-ethoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(4-ethoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one (CID 11833608) is (E)-1-(4-ethoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-ethoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(4-ethoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one is CCOc1ccc(C(=O)/C=C/c2cnc3ccccc3c2)cc1.
What is the InChIKey of (E)-1-(4-ethoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one?
The InChIKey is ZAJLGUCWMJFLOY-KPKJPENVSA-N. The full InChI is InChI=1S/C20H17NO2/c1-2-23-18-10-8-16(9-11-18)20(22)12-7-15-13-17-5-3-4-6-19(17)21-14-15/h3-14H,2H2,1H3/b12-7+.
What are the key properties of (E)-1-(4-ethoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one?
(E)-1-(4-ethoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one has a molecular weight of 303.36 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-ethoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one is sourced from PubChem (CID 11833608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).