(E)-3-(4-fluorophenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one

C25H18FNO — CID 51134246

IUPAC(E)-3-(4-fluorophenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one
SMILESCc1nc2ccccc2c(-c2ccccc2)c1C(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C25H18FNO/c1-17-24(23(28)16-13-18-11-14-20(26)15-12-18)25(19-7-3-2-4-8-19)21-9-5-6-10-22(21)27-17/h2-16H,1H3/b16-13+
InChIKeyZXXQYHUKPNBJPO-DTQAZKPQSA-N
MW367.42 g/mol
LogP6.25
Rot. Bonds4

About (E)-3-(4-fluorophenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one

(E)-3-(4-fluorophenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one (PubChem CID 51134246) has the molecular formula C25H18FNO and a molecular weight of 367.42 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one
PubChem CID51134246
Molecular FormulaC25H18FNO
Molecular Weight367.42 g/mol
Exact Mass367.14
IUPAC Name(E)-3-(4-fluorophenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one
SMILESCc1nc2ccccc2c(-c2ccccc2)c1C(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C25H18FNO/c1-17-24(23(28)16-13-18-11-14-20(26)15-12-18)25(19-7-3-2-4-8-19)21-9-5-6-10-22(21)27-17/h2-16H,1H3/b16-13+
InChIKeyZXXQYHUKPNBJPO-DTQAZKPQSA-N
XLogP6.25
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.42
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-fluorophenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(4-fluorophenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one (CID 51134246) is (E)-3-(4-fluorophenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-fluorophenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one is Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)/C=C/c1ccc(F)cc1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one?
The InChIKey is ZXXQYHUKPNBJPO-DTQAZKPQSA-N. The full InChI is InChI=1S/C25H18FNO/c1-17-24(23(28)16-13-18-11-14-20(26)15-12-18)25(19-7-3-2-4-8-19)21-9-5-6-10-22(21)27-17/h2-16H,1H3/b16-13+.
What are the key properties of (E)-3-(4-fluorophenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one?
(E)-3-(4-fluorophenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one has a molecular weight of 367.42 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one is sourced from PubChem (CID 51134246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).