(3-fluorophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone

C17H16FNO2 — CID 110709583

IUPAC(3-fluorophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2cccc(F)c2)c2ccccc21
InChIInChI=1S/C17H16FNO2/c1-17(21)9-10-19(15-8-3-2-7-14(15)17)16(20)12-5-4-6-13(18)11-12/h2-8,11,21H,9-10H2,1H3
InChIKeyQQZGAEBPWTVZJS-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.08
Rot. Bonds1

About (3-fluorophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone

(3-fluorophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone (PubChem CID 110709583) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is (3-fluorophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone
PubChem CID110709583
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name(3-fluorophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2cccc(F)c2)c2ccccc21
InChIInChI=1S/C17H16FNO2/c1-17(21)9-10-19(15-8-3-2-7-14(15)17)16(20)12-5-4-6-13(18)11-12/h2-8,11,21H,9-10H2,1H3
InChIKeyQQZGAEBPWTVZJS-UHFFFAOYSA-N
XLogP3.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(3-methylphenyl)methanone
CID 110709581
(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-phenylmethanone
CID 71830919
(3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103726936
4-(3-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 3159804
1-(3-fluorobenzoyl)-7-methoxy-2,3-dihydroquinolin-4-one
CID 110635602
(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone
CID 110741432
2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083234
[1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(3-fluorophenyl)methanone
CID 59003926
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
1-(3-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162552
4-hydroxy-N,N,4-trimethyl-2,3-dihydroquinoline-1-sulfonamide
CID 110709650

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone?
The IUPAC name of (3-fluorophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone (CID 110709583) is (3-fluorophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone?
The canonical SMILES for (3-fluorophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone is CC1(O)CCN(C(=O)c2cccc(F)c2)c2ccccc21.
What is the InChIKey of (3-fluorophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone?
The InChIKey is QQZGAEBPWTVZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-17(21)9-10-19(15-8-3-2-7-14(15)17)16(20)12-5-4-6-13(18)11-12/h2-8,11,21H,9-10H2,1H3.
What are the key properties of (3-fluorophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone?
(3-fluorophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone has a molecular weight of 285.32 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone is sourced from PubChem (CID 110709583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).