1-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-2,4-dimethylpentyl]quinolin-4-one

C23H26FNO3 — CID 10249379

IUPAC1-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-2,4-dimethylpentyl]quinolin-4-one
SMILESCOc1ccc(F)cc1C(C)(C)CC(C)(O)Cn1ccc(=O)c2ccccc21
InChIInChI=1S/C23H26FNO3/c1-22(2,18-13-16(24)9-10-21(18)28-4)14-23(3,27)15-25-12-11-20(26)17-7-5-6-8-19(17)25/h5-13,27H,14-15H2,1-4H3
InChIKeyBCNAZSNPPSWPNS-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.27
Rot. Bonds6

About 1-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-2,4-dimethylpentyl]quinolin-4-one

1-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-2,4-dimethylpentyl]quinolin-4-one (PubChem CID 10249379) has the molecular formula C23H26FNO3 and a molecular weight of 383.46 g/mol. Its IUPAC name is 1-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-2,4-dimethylpentyl]quinolin-4-one.

Molecular Properties

Compound Name1-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-2,4-dimethylpentyl]quinolin-4-one
PubChem CID10249379
Molecular FormulaC23H26FNO3
Molecular Weight383.46 g/mol
Exact Mass383.19
IUPAC Name1-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-2,4-dimethylpentyl]quinolin-4-one
SMILESCOc1ccc(F)cc1C(C)(C)CC(C)(O)Cn1ccc(=O)c2ccccc21
InChIInChI=1S/C23H26FNO3/c1-22(2,18-13-16(24)9-10-21(18)28-4)14-23(3,27)15-25-12-11-20(26)17-7-5-6-8-19(17)25/h5-13,27H,14-15H2,1-4H3
InChIKeyBCNAZSNPPSWPNS-UHFFFAOYSA-N
XLogP4.27
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-(5-Fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl)quinazolin-4(1H)-one
CID 10026120
1-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-trifluoromethylpentyl]-1H-quinolin-4-one
CID 10252527
1-[2-hydroxy-4-(2-hydroxy-5-methylphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1H-quinolin-4-one
CID 11690269
2-[(3,4-dihydro-2H-quinolin-1-yl)methyl]-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol
CID 16099234
1-[4-(2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-1H-quinolin-4-one
CID 16099238
1-[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-trifluoromethylpentyl]-1H-quinolin-4-one
CID 16099240
1-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-2,3-dihydro-1H-quinolin-4-one
CID 16099247
1-[4-(4-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-1H-quinolin-4-one
CID 16099252
1-[2-hydroxy-4-(2-hydroxyphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1H-quinolin-4-one
CID 16099236
1-[2-hydroxy-4-(5-hydroxy-2-methylphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1H-quinolin-4-one
CID 16099237
1-[2-hydroxy-4-(5-methoxy-2-methylphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1H-quinolin-4-one
CID 16099251
(E)-3-(4-hydroxy-2-methoxy-5-prop-2-enylphenyl)-1-(2-piperidin-1-ylphenyl)prop-2-en-1-one
CID 141746840

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-2,4-dimethylpentyl]quinolin-4-one?
The IUPAC name of 1-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-2,4-dimethylpentyl]quinolin-4-one (CID 10249379) is 1-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-2,4-dimethylpentyl]quinolin-4-one.
What is the SMILES notation for 1-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-2,4-dimethylpentyl]quinolin-4-one?
The canonical SMILES for 1-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-2,4-dimethylpentyl]quinolin-4-one is COc1ccc(F)cc1C(C)(C)CC(C)(O)Cn1ccc(=O)c2ccccc21.
What is the InChIKey of 1-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-2,4-dimethylpentyl]quinolin-4-one?
The InChIKey is BCNAZSNPPSWPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO3/c1-22(2,18-13-16(24)9-10-21(18)28-4)14-23(3,27)15-25-12-11-20(26)17-7-5-6-8-19(17)25/h5-13,27H,14-15H2,1-4H3.
What are the key properties of 1-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-2,4-dimethylpentyl]quinolin-4-one?
1-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-2,4-dimethylpentyl]quinolin-4-one has a molecular weight of 383.46 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-2,4-dimethylpentyl]quinolin-4-one is sourced from PubChem (CID 10249379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).