1-(4-phenylquinolin-3-yl)-3-pyridin-2-ylprop-2-en-1-one

C23H16N2O — CID 142752382

IUPAC1-(4-phenylquinolin-3-yl)-3-pyridin-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccccn1)c1cnc2ccccc2c1-c1ccccc1
InChIInChI=1S/C23H16N2O/c26-22(14-13-18-10-6-7-15-24-18)20-16-25-21-12-5-4-11-19(21)23(20)17-8-2-1-3-9-17/h1-16H
InChIKeyXEDDOSQDCUWIGD-UHFFFAOYSA-N
MW336.39 g/mol
LogP5.19
Rot. Bonds4

About 1-(4-phenylquinolin-3-yl)-3-pyridin-2-ylprop-2-en-1-one

1-(4-phenylquinolin-3-yl)-3-pyridin-2-ylprop-2-en-1-one (PubChem CID 142752382) has the molecular formula C23H16N2O and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-(4-phenylquinolin-3-yl)-3-pyridin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name1-(4-phenylquinolin-3-yl)-3-pyridin-2-ylprop-2-en-1-one
PubChem CID142752382
Molecular FormulaC23H16N2O
Molecular Weight336.39 g/mol
Exact Mass336.13
IUPAC Name1-(4-phenylquinolin-3-yl)-3-pyridin-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccccn1)c1cnc2ccccc2c1-c1ccccc1
InChIInChI=1S/C23H16N2O/c26-22(14-13-18-10-6-7-15-24-18)20-16-25-21-12-5-4-11-19(21)23(20)17-8-2-1-3-9-17/h1-16H
InChIKeyXEDDOSQDCUWIGD-UHFFFAOYSA-N
XLogP5.19
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.39
LogP ≤ 55.19
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

3-(4-hydroxy-3-methoxyphenyl)-1-(4-phenylquinolin-3-yl)prop-2-en-1-one
CID 66906700
(2-chlorophenyl)-(4-phenylquinolin-3-yl)methanone
CID 135033358
(E)-1-(2-aminophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 102588923
ethane;(E)-1-phenyl-3-pyridin-2-ylprop-2-en-1-one
CID 91594762
(E)-3-pyridin-2-yl-1-(2,3,4-trihydroxyphenyl)prop-2-en-1-one
CID 170746428
(E)-3-pyridin-2-yl-1-[6-[(E)-3-pyridin-2-ylprop-2-enoyl]-2-pyridinyl]prop-2-en-1-one
CID 6008977
(E)-3-pyridin-2-yl-1-pyridin-3-ylprop-2-en-1-one
CID 19553305
6-chloro-4-phenyl-3-(3-pyridin-2-ylprop-2-enoyl)-1H-quinolin-2-one
CID 3131553
4-(4-fluorophenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one
CID 153281790
(1E,4E,6E)-1,7-dipyridin-2-ylhepta-1,4,6-trien-3-one
CID 127039581
(E)-3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)prop-2-en-1-one
CID 58026323
1-(4-bromophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 3292603

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylquinolin-3-yl)-3-pyridin-2-ylprop-2-en-1-one?
The IUPAC name of 1-(4-phenylquinolin-3-yl)-3-pyridin-2-ylprop-2-en-1-one (CID 142752382) is 1-(4-phenylquinolin-3-yl)-3-pyridin-2-ylprop-2-en-1-one.
What is the SMILES notation for 1-(4-phenylquinolin-3-yl)-3-pyridin-2-ylprop-2-en-1-one?
The canonical SMILES for 1-(4-phenylquinolin-3-yl)-3-pyridin-2-ylprop-2-en-1-one is O=C(C=Cc1ccccn1)c1cnc2ccccc2c1-c1ccccc1.
What is the InChIKey of 1-(4-phenylquinolin-3-yl)-3-pyridin-2-ylprop-2-en-1-one?
The InChIKey is XEDDOSQDCUWIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O/c26-22(14-13-18-10-6-7-15-24-18)20-16-25-21-12-5-4-11-19(21)23(20)17-8-2-1-3-9-17/h1-16H.
What are the key properties of 1-(4-phenylquinolin-3-yl)-3-pyridin-2-ylprop-2-en-1-one?
1-(4-phenylquinolin-3-yl)-3-pyridin-2-ylprop-2-en-1-one has a molecular weight of 336.39 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylquinolin-3-yl)-3-pyridin-2-ylprop-2-en-1-one is sourced from PubChem (CID 142752382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).