(3-fluorophenyl)-quinolin-3-ylmethanol;(3-fluorophenyl)-quinolin-3-ylmethanone

C32H22F2N2O2 — CID 129079809

IUPAC(3-fluorophenyl)-quinolin-3-ylmethanol;(3-fluorophenyl)-quinolin-3-ylmethanone
SMILESO=C(c1cccc(F)c1)c1cnc2ccccc2c1.OC(c1cccc(F)c1)c1cnc2ccccc2c1
InChIInChI=1S/C16H12FNO.C16H10FNO/c2*17-14-6-3-5-12(9-14)16(19)13-8-11-4-1-2-7-15(11)18-10-13/h1-10,16,19H;1-10H
InChIKeyBSIZJEWHRSQOSS-UHFFFAOYSA-N
MW504.54 g/mol
LogP7.06
Rot. Bonds4

About (3-fluorophenyl)-quinolin-3-ylmethanol;(3-fluorophenyl)-quinolin-3-ylmethanone

(3-fluorophenyl)-quinolin-3-ylmethanol;(3-fluorophenyl)-quinolin-3-ylmethanone (PubChem CID 129079809) has the molecular formula C32H22F2N2O2 and a molecular weight of 504.54 g/mol. Its IUPAC name is (3-fluorophenyl)-quinolin-3-ylmethanol;(3-fluorophenyl)-quinolin-3-ylmethanone.

Molecular Properties

Compound Name(3-fluorophenyl)-quinolin-3-ylmethanol;(3-fluorophenyl)-quinolin-3-ylmethanone
PubChem CID129079809
Molecular FormulaC32H22F2N2O2
Molecular Weight504.54 g/mol
Exact Mass504.16
IUPAC Name(3-fluorophenyl)-quinolin-3-ylmethanol;(3-fluorophenyl)-quinolin-3-ylmethanone
SMILESO=C(c1cccc(F)c1)c1cnc2ccccc2c1.OC(c1cccc(F)c1)c1cnc2ccccc2c1
InChIInChI=1S/C16H12FNO.C16H10FNO/c2*17-14-6-3-5-12(9-14)16(19)13-8-11-4-1-2-7-15(11)18-10-13/h1-10,16,19H;1-10H
InChIKeyBSIZJEWHRSQOSS-UHFFFAOYSA-N
XLogP7.06
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.54
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-quinolin-3-ylmethanol;(3-fluorophenyl)-quinolin-3-ylmethanone?
The IUPAC name of (3-fluorophenyl)-quinolin-3-ylmethanol;(3-fluorophenyl)-quinolin-3-ylmethanone (CID 129079809) is (3-fluorophenyl)-quinolin-3-ylmethanol;(3-fluorophenyl)-quinolin-3-ylmethanone.
What is the SMILES notation for (3-fluorophenyl)-quinolin-3-ylmethanol;(3-fluorophenyl)-quinolin-3-ylmethanone?
The canonical SMILES for (3-fluorophenyl)-quinolin-3-ylmethanol;(3-fluorophenyl)-quinolin-3-ylmethanone is O=C(c1cccc(F)c1)c1cnc2ccccc2c1.OC(c1cccc(F)c1)c1cnc2ccccc2c1.
What is the InChIKey of (3-fluorophenyl)-quinolin-3-ylmethanol;(3-fluorophenyl)-quinolin-3-ylmethanone?
The InChIKey is BSIZJEWHRSQOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO.C16H10FNO/c2*17-14-6-3-5-12(9-14)16(19)13-8-11-4-1-2-7-15(11)18-10-13/h1-10,16,19H;1-10H.
What are the key properties of (3-fluorophenyl)-quinolin-3-ylmethanol;(3-fluorophenyl)-quinolin-3-ylmethanone?
(3-fluorophenyl)-quinolin-3-ylmethanol;(3-fluorophenyl)-quinolin-3-ylmethanone has a molecular weight of 504.54 g/mol, XLogP of 7.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-quinolin-3-ylmethanol;(3-fluorophenyl)-quinolin-3-ylmethanone is sourced from PubChem (CID 129079809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).