(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone

C16H12F3NO2 — CID 110636848

IUPAC(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1F)N1CCC(O)c2ccccc21
InChIInChI=1S/C16H12F3NO2/c17-11-6-5-10(14(18)15(11)19)16(22)20-8-7-13(21)9-3-1-2-4-12(9)20/h1-6,13,21H,7-8H2
InChIKeyRHKYBXAFJYUDEQ-UHFFFAOYSA-N
MW307.27 g/mol
LogP3.19
Rot. Bonds1

About (4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone

(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone (PubChem CID 110636848) has the molecular formula C16H12F3NO2 and a molecular weight of 307.27 g/mol. Its IUPAC name is (4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone
PubChem CID110636848
Molecular FormulaC16H12F3NO2
Molecular Weight307.27 g/mol
Exact Mass307.08
IUPAC Name(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1F)N1CCC(O)c2ccccc21
InChIInChI=1S/C16H12F3NO2/c17-11-6-5-10(14(18)15(11)19)16(22)20-8-7-13(21)9-3-1-2-4-12(9)20/h1-6,13,21H,7-8H2
InChIKeyRHKYBXAFJYUDEQ-UHFFFAOYSA-N
XLogP3.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 110636381
(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 110636711
(2,6-dihydroxyphenyl)-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107690164
1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one
CID 110424755
methyl 1-(2,3,4-trifluorobenzoyl)-2,3-dihydroindole-3-carboxylate
CID 75377070
(2-bromophenyl)-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110636338
tert-butyl (4R)-4-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 124566960
(2-fluorophenyl)-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110636941
(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylpiperidin-1-yl)methanone
CID 79159594
(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110636820
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,3,4-trifluorophenyl)methanone
CID 122329376
(3,4-dihydroxypyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 106671138

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of (4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone (CID 110636848) is (4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for (4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for (4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone is O=C(c1ccc(F)c(F)c1F)N1CCC(O)c2ccccc21.
What is the InChIKey of (4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone?
The InChIKey is RHKYBXAFJYUDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO2/c17-11-6-5-10(14(18)15(11)19)16(22)20-8-7-13(21)9-3-1-2-4-12(9)20/h1-6,13,21H,7-8H2.
What are the key properties of (4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone?
(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone has a molecular weight of 307.27 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 110636848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).