(4-fluorophenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

C17H16FNO3 — CID 110636661

IUPAC(4-fluorophenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc2c(c1)C(O)CCN2C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H16FNO3/c1-22-13-6-7-15-14(10-13)16(20)8-9-19(15)17(21)11-2-4-12(18)5-3-11/h2-7,10,16,20H,8-9H2,1H3
InChIKeyKTZDSIFEOJAHMB-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.92
Rot. Bonds2

About (4-fluorophenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

(4-fluorophenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 110636661) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is (4-fluorophenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID110636661
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Name(4-fluorophenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc2c(c1)C(O)CCN2C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H16FNO3/c1-22-13-6-7-15-14(10-13)16(20)8-9-19(15)17(21)11-2-4-12(18)5-3-11/h2-7,10,16,20H,8-9H2,1H3
InChIKeyKTZDSIFEOJAHMB-UHFFFAOYSA-N
XLogP2.92
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dimethoxyphenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110636672
(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 110636711
(3,6-dichloro-2-methoxyphenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110636721
(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone
CID 110637097
(3,4-dichlorophenyl)-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110637100
4-hydroxy-6-methoxy-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110636695
4-hydroxy-6-methoxy-N-propyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110636732
(4-fluorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110709472
1-(4-fluorobenzoyl)-7-methoxy-2,3-dihydroquinolin-4-one
CID 110635603
1-(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110636565
2-(3,4-dimethoxyphenyl)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110636703
1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-phenoxypropan-1-one
CID 110636690

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 110636661) is (4-fluorophenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is COc1ccc2c(c1)C(O)CCN2C(=O)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is KTZDSIFEOJAHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-22-13-6-7-15-14(10-13)16(20)8-9-19(15)17(21)11-2-4-12(18)5-3-11/h2-7,10,16,20H,8-9H2,1H3.
What are the key properties of (4-fluorophenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
(4-fluorophenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 301.32 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 110636661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).