(E)-3-[6-chloro-4-(4-fluorophenoxy)quinolin-2-yl]prop-2-en-1-ol

C18H13ClFNO2 — CID 73351035

IUPAC(E)-3-[6-chloro-4-(4-fluorophenoxy)quinolin-2-yl]prop-2-en-1-ol
SMILESOC/C=C/c1cc(Oc2ccc(F)cc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C18H13ClFNO2/c19-12-3-8-17-16(10-12)18(11-14(21-17)2-1-9-22)23-15-6-4-13(20)5-7-15/h1-8,10-11,22H,9H2/b2-1+
InChIKeyVYEPGKLPONDHGQ-OWOJBTEDSA-N
MW329.76 g/mol
LogP4.83
Rot. Bonds4

About (E)-3-[6-chloro-4-(4-fluorophenoxy)quinolin-2-yl]prop-2-en-1-ol

(E)-3-[6-chloro-4-(4-fluorophenoxy)quinolin-2-yl]prop-2-en-1-ol (PubChem CID 73351035) has the molecular formula C18H13ClFNO2 and a molecular weight of 329.76 g/mol. Its IUPAC name is (E)-3-[6-chloro-4-(4-fluorophenoxy)quinolin-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[6-chloro-4-(4-fluorophenoxy)quinolin-2-yl]prop-2-en-1-ol
PubChem CID73351035
Molecular FormulaC18H13ClFNO2
Molecular Weight329.76 g/mol
Exact Mass329.06
IUPAC Name(E)-3-[6-chloro-4-(4-fluorophenoxy)quinolin-2-yl]prop-2-en-1-ol
SMILESOC/C=C/c1cc(Oc2ccc(F)cc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C18H13ClFNO2/c19-12-3-8-17-16(10-12)18(11-14(21-17)2-1-9-22)23-15-6-4-13(20)5-7-15/h1-8,10-11,22H,9H2/b2-1+
InChIKeyVYEPGKLPONDHGQ-OWOJBTEDSA-N
XLogP4.83
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.76
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[6-chloro-4-(4-fluorophenoxy)quinolin-2-yl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[6-chloro-4-(4-fluorophenoxy)quinolin-2-yl]prop-2-en-1-ol (CID 73351035) is (E)-3-[6-chloro-4-(4-fluorophenoxy)quinolin-2-yl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[6-chloro-4-(4-fluorophenoxy)quinolin-2-yl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[6-chloro-4-(4-fluorophenoxy)quinolin-2-yl]prop-2-en-1-ol is OC/C=C/c1cc(Oc2ccc(F)cc2)c2cc(Cl)ccc2n1.
What is the InChIKey of (E)-3-[6-chloro-4-(4-fluorophenoxy)quinolin-2-yl]prop-2-en-1-ol?
The InChIKey is VYEPGKLPONDHGQ-OWOJBTEDSA-N. The full InChI is InChI=1S/C18H13ClFNO2/c19-12-3-8-17-16(10-12)18(11-14(21-17)2-1-9-22)23-15-6-4-13(20)5-7-15/h1-8,10-11,22H,9H2/b2-1+.
What are the key properties of (E)-3-[6-chloro-4-(4-fluorophenoxy)quinolin-2-yl]prop-2-en-1-ol?
(E)-3-[6-chloro-4-(4-fluorophenoxy)quinolin-2-yl]prop-2-en-1-ol has a molecular weight of 329.76 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[6-chloro-4-(4-fluorophenoxy)quinolin-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 73351035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).