1-ethyl-2-(3-fluorophenyl)-3-methyl-6-propan-2-ylquinolin-4-one

C21H22FNO — CID 516403

IUPAC1-ethyl-2-(3-fluorophenyl)-3-methyl-6-propan-2-ylquinolin-4-one
SMILESCCn1c(-c2cccc(F)c2)c(C)c(=O)c2cc(C(C)C)ccc21
InChIInChI=1S/C21H22FNO/c1-5-23-19-10-9-15(13(2)3)12-18(19)21(24)14(4)20(23)16-7-6-8-17(22)11-16/h6-13H,5H2,1-4H3
InChIKeyDBGWPYSILOFEHE-UHFFFAOYSA-N
MW323.41 g/mol
LogP5.26
Rot. Bonds3

About 1-ethyl-2-(3-fluorophenyl)-3-methyl-6-propan-2-ylquinolin-4-one

1-ethyl-2-(3-fluorophenyl)-3-methyl-6-propan-2-ylquinolin-4-one (PubChem CID 516403) has the molecular formula C21H22FNO and a molecular weight of 323.41 g/mol. Its IUPAC name is 1-ethyl-2-(3-fluorophenyl)-3-methyl-6-propan-2-ylquinolin-4-one.

Molecular Properties

Compound Name1-ethyl-2-(3-fluorophenyl)-3-methyl-6-propan-2-ylquinolin-4-one
PubChem CID516403
Molecular FormulaC21H22FNO
Molecular Weight323.41 g/mol
Exact Mass323.17
IUPAC Name1-ethyl-2-(3-fluorophenyl)-3-methyl-6-propan-2-ylquinolin-4-one
SMILESCCn1c(-c2cccc(F)c2)c(C)c(=O)c2cc(C(C)C)ccc21
InChIInChI=1S/C21H22FNO/c1-5-23-19-10-9-15(13(2)3)12-18(19)21(24)14(4)20(23)16-7-6-8-17(22)11-16/h6-13H,5H2,1-4H3
InChIKeyDBGWPYSILOFEHE-UHFFFAOYSA-N
XLogP5.26
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.41
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-3-methyl-2-phenyl-6-propan-2-ylquinolin-4-one
CID 516450
[1-ethyl-2-(3-fluorophenyl)indol-3-yl]methanamine
CID 22689338
5-ethyl-11-nitroso-8-propan-2-yl-11H-indeno[1,2-b]quinolin-10-one
CID 91043249
9-(3-fluorophenyl)-3,6-di(propan-2-yl)carbazole
CID 154631744
9-ethyl-3-[3-(4-propan-2-ylphenyl)phenyl]carbazole
CID 167189334
2-chloro-1-ethyl-5-propan-2-ylindole-3-carbaldehyde
CID 82268593
9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole
CID 14093933
2-methyl-6-propan-2-yl-10-(2,2,2-trifluoroethyl)acridin-9-one
CID 67522469
1-ethyl-2-methyl-5-propan-2-ylindole
CID 155701279
1-ethyl-2-(3-fluorophenyl)-4-oxoquinoline-6-carboxylic acid;methanesulfonic acid
CID 175339060
(2-chloro-1-ethyl-5-propan-2-ylindol-3-yl)methanol
CID 82268595
2-chloro-1-ethyl-5-fluoro-3-methylindole
CID 117127777

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-fluorophenyl)-3-methyl-6-propan-2-ylquinolin-4-one?
The IUPAC name of 1-ethyl-2-(3-fluorophenyl)-3-methyl-6-propan-2-ylquinolin-4-one (CID 516403) is 1-ethyl-2-(3-fluorophenyl)-3-methyl-6-propan-2-ylquinolin-4-one.
What is the SMILES notation for 1-ethyl-2-(3-fluorophenyl)-3-methyl-6-propan-2-ylquinolin-4-one?
The canonical SMILES for 1-ethyl-2-(3-fluorophenyl)-3-methyl-6-propan-2-ylquinolin-4-one is CCn1c(-c2cccc(F)c2)c(C)c(=O)c2cc(C(C)C)ccc21.
What is the InChIKey of 1-ethyl-2-(3-fluorophenyl)-3-methyl-6-propan-2-ylquinolin-4-one?
The InChIKey is DBGWPYSILOFEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO/c1-5-23-19-10-9-15(13(2)3)12-18(19)21(24)14(4)20(23)16-7-6-8-17(22)11-16/h6-13H,5H2,1-4H3.
What are the key properties of 1-ethyl-2-(3-fluorophenyl)-3-methyl-6-propan-2-ylquinolin-4-one?
1-ethyl-2-(3-fluorophenyl)-3-methyl-6-propan-2-ylquinolin-4-one has a molecular weight of 323.41 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-fluorophenyl)-3-methyl-6-propan-2-ylquinolin-4-one is sourced from PubChem (CID 516403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).