(4-chloro-7-phenylmethoxyquinolin-3-yl)-(3-fluorophenyl)methanol

C23H17ClFNO2 — CID 169092952

IUPAC(4-chloro-7-phenylmethoxyquinolin-3-yl)-(3-fluorophenyl)methanol
SMILESOC(c1cccc(F)c1)c1cnc2cc(OCc3ccccc3)ccc2c1Cl
InChIInChI=1S/C23H17ClFNO2/c24-22-19-10-9-18(28-14-15-5-2-1-3-6-15)12-21(19)26-13-20(22)23(27)16-7-4-8-17(25)11-16/h1-13,23,27H,14H2
InChIKeyRSQYHRUOAFWCGN-UHFFFAOYSA-N
MW393.85 g/mol
LogP5.69
Rot. Bonds5

About (4-chloro-7-phenylmethoxyquinolin-3-yl)-(3-fluorophenyl)methanol

(4-chloro-7-phenylmethoxyquinolin-3-yl)-(3-fluorophenyl)methanol (PubChem CID 169092952) has the molecular formula C23H17ClFNO2 and a molecular weight of 393.85 g/mol. Its IUPAC name is (4-chloro-7-phenylmethoxyquinolin-3-yl)-(3-fluorophenyl)methanol.

Molecular Properties

Compound Name(4-chloro-7-phenylmethoxyquinolin-3-yl)-(3-fluorophenyl)methanol
PubChem CID169092952
Molecular FormulaC23H17ClFNO2
Molecular Weight393.85 g/mol
Exact Mass393.09
IUPAC Name(4-chloro-7-phenylmethoxyquinolin-3-yl)-(3-fluorophenyl)methanol
SMILESOC(c1cccc(F)c1)c1cnc2cc(OCc3ccccc3)ccc2c1Cl
InChIInChI=1S/C23H17ClFNO2/c24-22-19-10-9-18(28-14-15-5-2-1-3-6-15)12-21(19)26-13-20(22)23(27)16-7-4-8-17(25)11-16/h1-13,23,27H,14H2
InChIKeyRSQYHRUOAFWCGN-UHFFFAOYSA-N
XLogP5.69
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.85
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-7-phenylmethoxyquinolin-3-yl)methanol
CID 169092914
3,4-dichloro-6-phenylmethoxyquinoline
CID 114759785
3-bromo-4-chloro-6-phenylmethoxyquinoline
CID 114759884
4-chloro-6-phenylmethoxyquinolin-3-amine
CID 102614162
(4-chloro-3-pyridinyl)-(4-phenylmethoxyphenyl)methanol
CID 139474166
1-benzofuran-5-yl-(4-chloro-7-phenylmethoxyquinolin-3-yl)methanone
CID 169092939
1-(2-chloro-5-phenylmethoxyphenyl)ethanol
CID 83988712
(2S,3S)-3-(3-fluorophenyl)-3-(5-phenylmethoxyindol-1-yl)propane-1,2-diol
CID 69159890
(3,5-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methanol
CID 69204493
4-hydrazinyl-7-phenylmethoxyquinolin-3-amine
CID 69151433
2-[(3-chlorophenyl)-hydroxymethyl]-N-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 155561650
1-[chloro(phenylmethoxy)methyl]-3-fluorobenzene
CID 69109634

Frequently Asked Questions

What is the IUPAC name of (4-chloro-7-phenylmethoxyquinolin-3-yl)-(3-fluorophenyl)methanol?
The IUPAC name of (4-chloro-7-phenylmethoxyquinolin-3-yl)-(3-fluorophenyl)methanol (CID 169092952) is (4-chloro-7-phenylmethoxyquinolin-3-yl)-(3-fluorophenyl)methanol.
What is the SMILES notation for (4-chloro-7-phenylmethoxyquinolin-3-yl)-(3-fluorophenyl)methanol?
The canonical SMILES for (4-chloro-7-phenylmethoxyquinolin-3-yl)-(3-fluorophenyl)methanol is OC(c1cccc(F)c1)c1cnc2cc(OCc3ccccc3)ccc2c1Cl.
What is the InChIKey of (4-chloro-7-phenylmethoxyquinolin-3-yl)-(3-fluorophenyl)methanol?
The InChIKey is RSQYHRUOAFWCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFNO2/c24-22-19-10-9-18(28-14-15-5-2-1-3-6-15)12-21(19)26-13-20(22)23(27)16-7-4-8-17(25)11-16/h1-13,23,27H,14H2.
What are the key properties of (4-chloro-7-phenylmethoxyquinolin-3-yl)-(3-fluorophenyl)methanol?
(4-chloro-7-phenylmethoxyquinolin-3-yl)-(3-fluorophenyl)methanol has a molecular weight of 393.85 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-7-phenylmethoxyquinolin-3-yl)-(3-fluorophenyl)methanol is sourced from PubChem (CID 169092952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).