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

C25H22FNO — CID 516450

IUPAC1-(4-fluorophenyl)-3-methyl-2-phenyl-6-propan-2-ylquinolin-4-one
SMILESCc1c(-c2ccccc2)n(-c2ccc(F)cc2)c2ccc(C(C)C)cc2c1=O
InChIInChI=1S/C25H22FNO/c1-16(2)19-9-14-23-22(15-19)25(28)17(3)24(18-7-5-4-6-8-18)27(23)21-12-10-20(26)11-13-21/h4-16H,1-3H3
InChIKeyBUTKNGDJOUPJNK-UHFFFAOYSA-N
MW371.46 g/mol
LogP6.23
Rot. Bonds3

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

1-(4-fluorophenyl)-3-methyl-2-phenyl-6-propan-2-ylquinolin-4-one (PubChem CID 516450) has the molecular formula C25H22FNO and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methyl-2-phenyl-6-propan-2-ylquinolin-4-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methyl-2-phenyl-6-propan-2-ylquinolin-4-one
PubChem CID516450
Molecular FormulaC25H22FNO
Molecular Weight371.46 g/mol
Exact Mass371.17
IUPAC Name1-(4-fluorophenyl)-3-methyl-2-phenyl-6-propan-2-ylquinolin-4-one
SMILESCc1c(-c2ccccc2)n(-c2ccc(F)cc2)c2ccc(C(C)C)cc2c1=O
InChIInChI=1S/C25H22FNO/c1-16(2)19-9-14-23-22(15-19)25(28)17(3)24(18-7-5-4-6-8-18)27(23)21-12-10-20(26)11-13-21/h4-16H,1-3H3
InChIKeyBUTKNGDJOUPJNK-UHFFFAOYSA-N
XLogP6.23
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.46
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-3-methyl-2-phenylindole
CID 11551202
1-ethyl-2-(3-fluorophenyl)-3-methyl-6-propan-2-ylquinolin-4-one
CID 516403
2-(4-fluorophenyl)-3-methyl-1,6-diphenylpyridin-4-one
CID 14303719
9-(3-fluorophenyl)-3,6-di(propan-2-yl)carbazole
CID 154631744
9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3-ethyl-6-propan-2-ylcarbazole
CID 71050650
3-phenyl-9-[4-[6-[9-phenyl-6-[4-(4-propan-2-ylphenyl)phenyl]carbazol-3-yl]naphthalen-2-yl]phenyl]-6-[4-(4-propan-2-ylphenyl)phenyl]carbazole
CID 139504733
8-fluoro-5-methyl-2-phenyl-3-propan-2-ylbenzo[b][1,6]naphthyridine-1,10-dione
CID 118539765
3,10-di(propan-2-yl)-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione
CID 168823245
9-(4-tert-butylphenyl)-3-propan-2-ylcarbazole
CID 170191749
3-propan-2-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
CID 166922874
3-fluoro-10-(4-phenylphenyl)acridin-9-one
CID 176670421
3,6-bis[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59307012

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-methyl-2-phenyl-6-propan-2-ylquinolin-4-one?
The IUPAC name of 1-(4-fluorophenyl)-3-methyl-2-phenyl-6-propan-2-ylquinolin-4-one (CID 516450) is 1-(4-fluorophenyl)-3-methyl-2-phenyl-6-propan-2-ylquinolin-4-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methyl-2-phenyl-6-propan-2-ylquinolin-4-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-methyl-2-phenyl-6-propan-2-ylquinolin-4-one is Cc1c(-c2ccccc2)n(-c2ccc(F)cc2)c2ccc(C(C)C)cc2c1=O.
What is the InChIKey of 1-(4-fluorophenyl)-3-methyl-2-phenyl-6-propan-2-ylquinolin-4-one?
The InChIKey is BUTKNGDJOUPJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FNO/c1-16(2)19-9-14-23-22(15-19)25(28)17(3)24(18-7-5-4-6-8-18)27(23)21-12-10-20(26)11-13-21/h4-16H,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-3-methyl-2-phenyl-6-propan-2-ylquinolin-4-one?
1-(4-fluorophenyl)-3-methyl-2-phenyl-6-propan-2-ylquinolin-4-one has a molecular weight of 371.46 g/mol, XLogP of 6.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methyl-2-phenyl-6-propan-2-ylquinolin-4-one is sourced from PubChem (CID 516450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).