[2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]quinolin-7-yl]methanol

C20H20FNO2 — CID 58212628

IUPAC[2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]quinolin-7-yl]methanol
SMILESCC(C)(C)Oc1cc(-c2ccc(F)cc2)nc2cc(CO)ccc12
InChIInChI=1S/C20H20FNO2/c1-20(2,3)24-19-11-17(14-5-7-15(21)8-6-14)22-18-10-13(12-23)4-9-16(18)19/h4-11,23H,12H2,1-3H3
InChIKeySWRBPMRCEKVJHW-UHFFFAOYSA-N
MW325.38 g/mol
LogP4.71
Rot. Bonds3

About [2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]quinolin-7-yl]methanol

[2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]quinolin-7-yl]methanol (PubChem CID 58212628) has the molecular formula C20H20FNO2 and a molecular weight of 325.38 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]quinolin-7-yl]methanol.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]quinolin-7-yl]methanol
PubChem CID58212628
Molecular FormulaC20H20FNO2
Molecular Weight325.38 g/mol
Exact Mass325.15
IUPAC Name[2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]quinolin-7-yl]methanol
SMILESCC(C)(C)Oc1cc(-c2ccc(F)cc2)nc2cc(CO)ccc12
InChIInChI=1S/C20H20FNO2/c1-20(2,3)24-19-11-17(14-5-7-15(21)8-6-14)22-18-10-13(12-23)4-9-16(18)19/h4-11,23H,12H2,1-3H3
InChIKeySWRBPMRCEKVJHW-UHFFFAOYSA-N
XLogP4.71
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]quinolin-7-yl]methanol?
The IUPAC name of [2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]quinolin-7-yl]methanol (CID 58212628) is [2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]quinolin-7-yl]methanol.
What is the SMILES notation for [2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]quinolin-7-yl]methanol?
The canonical SMILES for [2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]quinolin-7-yl]methanol is CC(C)(C)Oc1cc(-c2ccc(F)cc2)nc2cc(CO)ccc12.
What is the InChIKey of [2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]quinolin-7-yl]methanol?
The InChIKey is SWRBPMRCEKVJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2/c1-20(2,3)24-19-11-17(14-5-7-15(21)8-6-14)22-18-10-13(12-23)4-9-16(18)19/h4-11,23H,12H2,1-3H3.
What are the key properties of [2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]quinolin-7-yl]methanol?
[2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]quinolin-7-yl]methanol has a molecular weight of 325.38 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]quinolin-7-yl]methanol is sourced from PubChem (CID 58212628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).