(E)-3-(3-fluorophenyl)-1-[2-methyl-4-(4-methylphenyl)quinolin-3-yl]prop-2-en-1-one

C26H20FNO — CID 75458521

IUPAC(E)-3-(3-fluorophenyl)-1-[2-methyl-4-(4-methylphenyl)quinolin-3-yl]prop-2-en-1-one
SMILESCc1ccc(-c2c(C(=O)/C=C/c3cccc(F)c3)c(C)nc3ccccc23)cc1
InChIInChI=1S/C26H20FNO/c1-17-10-13-20(14-11-17)26-22-8-3-4-9-23(22)28-18(2)25(26)24(29)15-12-19-6-5-7-21(27)16-19/h3-16H,1-2H3/b15-12+
InChIKeyLJBCVEAQPTVXLN-NTCAYCPXSA-N
MW381.45 g/mol
LogP6.55
Rot. Bonds4

About (E)-3-(3-fluorophenyl)-1-[2-methyl-4-(4-methylphenyl)quinolin-3-yl]prop-2-en-1-one

(E)-3-(3-fluorophenyl)-1-[2-methyl-4-(4-methylphenyl)quinolin-3-yl]prop-2-en-1-one (PubChem CID 75458521) has the molecular formula C26H20FNO and a molecular weight of 381.45 g/mol. Its IUPAC name is (E)-3-(3-fluorophenyl)-1-[2-methyl-4-(4-methylphenyl)quinolin-3-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3-fluorophenyl)-1-[2-methyl-4-(4-methylphenyl)quinolin-3-yl]prop-2-en-1-one
PubChem CID75458521
Molecular FormulaC26H20FNO
Molecular Weight381.45 g/mol
Exact Mass381.15
IUPAC Name(E)-3-(3-fluorophenyl)-1-[2-methyl-4-(4-methylphenyl)quinolin-3-yl]prop-2-en-1-one
SMILESCc1ccc(-c2c(C(=O)/C=C/c3cccc(F)c3)c(C)nc3ccccc23)cc1
InChIInChI=1S/C26H20FNO/c1-17-10-13-20(14-11-17)26-22-8-3-4-9-23(22)28-18(2)25(26)24(29)15-12-19-6-5-7-21(27)16-19/h3-16H,1-2H3/b15-12+
InChIKeyLJBCVEAQPTVXLN-NTCAYCPXSA-N
XLogP6.55
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.45
LogP ≤ 56.55
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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Related Compounds

1-(2,7-dimethyl-4-phenylquinolin-3-yl)-3-(4-ethoxyphenyl)prop-2-en-1-one
CID 126816992
1-(2,6-dimethyl-4-phenylquinolin-3-yl)-3-quinoxalin-5-ylprop-2-en-1-one
CID 71916499
(E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-quinolin-4-ylprop-2-en-1-one
CID 47081868
ethyl 4-(4-fluorophenyl)-2-methylquinoline-3-carboxylate
CID 11594733
3-(3-methylphenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one
CID 141325889
2-[(E)-3-(3-methylphenyl)prop-2-enoyl]-3H-quinazolin-4-one
CID 143578998
(E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(4-ethoxyphenyl)prop-2-en-1-one
CID 44791570
1-[4-(4-methoxyphenyl)-2-methylquinolin-3-yl]ethanone
CID 672266
(E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(furan-2-yl)prop-2-en-1-one
CID 16590137
(E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one
CID 6278543
6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methylphenyl)-1H-quinolin-2-one
CID 134253192
1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 3385049

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluorophenyl)-1-[2-methyl-4-(4-methylphenyl)quinolin-3-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-(3-fluorophenyl)-1-[2-methyl-4-(4-methylphenyl)quinolin-3-yl]prop-2-en-1-one (CID 75458521) is (E)-3-(3-fluorophenyl)-1-[2-methyl-4-(4-methylphenyl)quinolin-3-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(3-fluorophenyl)-1-[2-methyl-4-(4-methylphenyl)quinolin-3-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(3-fluorophenyl)-1-[2-methyl-4-(4-methylphenyl)quinolin-3-yl]prop-2-en-1-one is Cc1ccc(-c2c(C(=O)/C=C/c3cccc(F)c3)c(C)nc3ccccc23)cc1.
What is the InChIKey of (E)-3-(3-fluorophenyl)-1-[2-methyl-4-(4-methylphenyl)quinolin-3-yl]prop-2-en-1-one?
The InChIKey is LJBCVEAQPTVXLN-NTCAYCPXSA-N. The full InChI is InChI=1S/C26H20FNO/c1-17-10-13-20(14-11-17)26-22-8-3-4-9-23(22)28-18(2)25(26)24(29)15-12-19-6-5-7-21(27)16-19/h3-16H,1-2H3/b15-12+.
What are the key properties of (E)-3-(3-fluorophenyl)-1-[2-methyl-4-(4-methylphenyl)quinolin-3-yl]prop-2-en-1-one?
(E)-3-(3-fluorophenyl)-1-[2-methyl-4-(4-methylphenyl)quinolin-3-yl]prop-2-en-1-one has a molecular weight of 381.45 g/mol, XLogP of 6.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluorophenyl)-1-[2-methyl-4-(4-methylphenyl)quinolin-3-yl]prop-2-en-1-one is sourced from PubChem (CID 75458521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).