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

C19H15NO2 — CID 10935131

IUPAC(E)-1-(4-methoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2cnc3ccccc3c2)cc1
InChIInChI=1S/C19H15NO2/c1-22-17-9-7-15(8-10-17)19(21)11-6-14-12-16-4-2-3-5-18(16)20-13-14/h2-13H,1H3/b11-6+
InChIKeyMVKYVTHLOYPGJD-IZZDOVSWSA-N
MW289.33 g/mol
LogP4.14
Rot. Bonds4

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

(E)-1-(4-methoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one (PubChem CID 10935131) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is (E)-1-(4-methoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-methoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one
PubChem CID10935131
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name(E)-1-(4-methoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2cnc3ccccc3c2)cc1
InChIInChI=1S/C19H15NO2/c1-22-17-9-7-15(8-10-17)19(21)11-6-14-12-16-4-2-3-5-18(16)20-13-14/h2-13H,1H3/b11-6+
InChIKeyMVKYVTHLOYPGJD-IZZDOVSWSA-N
XLogP4.14
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.14
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-ethoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one
CID 11833608
(E)-1-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-3-quinolin-3-ylprop-2-en-1-one
CID 10473638
(E)-3-quinolin-3-ylprop-2-enoate
CID 6986523
(Z)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 92913082
(1E,4E)-1-(4-hydroxy-3-methoxyphenyl)-5-quinolin-3-ylpenta-1,4-dien-3-one
CID 58442633
3-[(E)-2-methoxyethenyl]quinoline
CID 13227319
(E)-3-(6-methoxynaphthalen-2-yl)-1-(4-methylphenyl)prop-2-en-1-one
CID 7946120
(E)-1-phenyl-3-quinolin-6-ylprop-2-en-1-one
CID 13382828
[3-methoxy-5-[(E)-2-quinolin-3-ylethenyl]phenyl]boronic acid
CID 155715477
(E)-3-(4-methoxyphenyl)-1-[5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-pyridinyl]prop-2-en-1-one
CID 10453539
(E)-1-[2-chloro-3,5-bis(methoxymethyl)phenyl]-3-quinolin-3-ylprop-2-en-1-one
CID 170558366
3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 91944332

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-methoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(4-methoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one (CID 10935131) is (E)-1-(4-methoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-methoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(4-methoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one is COc1ccc(C(=O)/C=C/c2cnc3ccccc3c2)cc1.
What is the InChIKey of (E)-1-(4-methoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one?
The InChIKey is MVKYVTHLOYPGJD-IZZDOVSWSA-N. The full InChI is InChI=1S/C19H15NO2/c1-22-17-9-7-15(8-10-17)19(21)11-6-14-12-16-4-2-3-5-18(16)20-13-14/h2-13H,1H3/b11-6+.
What are the key properties of (E)-1-(4-methoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one?
(E)-1-(4-methoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one has a molecular weight of 289.33 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one is sourced from PubChem (CID 10935131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).