(E)-3-[6-chloro-7-fluoro-4-(4-fluorophenyl)quinolin-2-yl]prop-2-en-1-ol

C18H12ClF2NO — CID 73349481

IUPAC(E)-3-[6-chloro-7-fluoro-4-(4-fluorophenyl)quinolin-2-yl]prop-2-en-1-ol
SMILESOC/C=C/c1cc(-c2ccc(F)cc2)c2cc(Cl)c(F)cc2n1
InChIInChI=1S/C18H12ClF2NO/c19-16-9-15-14(11-3-5-12(20)6-4-11)8-13(2-1-7-23)22-18(15)10-17(16)21/h1-6,8-10,23H,7H2/b2-1+
InChIKeyUWCMFAOKIHNCOH-OWOJBTEDSA-N
MW331.75 g/mol
LogP4.84
Rot. Bonds3

About (E)-3-[6-chloro-7-fluoro-4-(4-fluorophenyl)quinolin-2-yl]prop-2-en-1-ol

(E)-3-[6-chloro-7-fluoro-4-(4-fluorophenyl)quinolin-2-yl]prop-2-en-1-ol (PubChem CID 73349481) has the molecular formula C18H12ClF2NO and a molecular weight of 331.75 g/mol. Its IUPAC name is (E)-3-[6-chloro-7-fluoro-4-(4-fluorophenyl)quinolin-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[6-chloro-7-fluoro-4-(4-fluorophenyl)quinolin-2-yl]prop-2-en-1-ol
PubChem CID73349481
Molecular FormulaC18H12ClF2NO
Molecular Weight331.75 g/mol
Exact Mass331.06
IUPAC Name(E)-3-[6-chloro-7-fluoro-4-(4-fluorophenyl)quinolin-2-yl]prop-2-en-1-ol
SMILESOC/C=C/c1cc(-c2ccc(F)cc2)c2cc(Cl)c(F)cc2n1
InChIInChI=1S/C18H12ClF2NO/c19-16-9-15-14(11-3-5-12(20)6-4-11)8-13(2-1-7-23)22-18(15)10-17(16)21/h1-6,8-10,23H,7H2/b2-1+
InChIKeyUWCMFAOKIHNCOH-OWOJBTEDSA-N
XLogP4.84
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.75
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[6-chloro-7-fluoro-4-(4-fluorophenyl)quinolin-2-yl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[6-chloro-7-fluoro-4-(4-fluorophenyl)quinolin-2-yl]prop-2-en-1-ol (CID 73349481) is (E)-3-[6-chloro-7-fluoro-4-(4-fluorophenyl)quinolin-2-yl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[6-chloro-7-fluoro-4-(4-fluorophenyl)quinolin-2-yl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[6-chloro-7-fluoro-4-(4-fluorophenyl)quinolin-2-yl]prop-2-en-1-ol is OC/C=C/c1cc(-c2ccc(F)cc2)c2cc(Cl)c(F)cc2n1.
What is the InChIKey of (E)-3-[6-chloro-7-fluoro-4-(4-fluorophenyl)quinolin-2-yl]prop-2-en-1-ol?
The InChIKey is UWCMFAOKIHNCOH-OWOJBTEDSA-N. The full InChI is InChI=1S/C18H12ClF2NO/c19-16-9-15-14(11-3-5-12(20)6-4-11)8-13(2-1-7-23)22-18(15)10-17(16)21/h1-6,8-10,23H,7H2/b2-1+.
What are the key properties of (E)-3-[6-chloro-7-fluoro-4-(4-fluorophenyl)quinolin-2-yl]prop-2-en-1-ol?
(E)-3-[6-chloro-7-fluoro-4-(4-fluorophenyl)quinolin-2-yl]prop-2-en-1-ol has a molecular weight of 331.75 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[6-chloro-7-fluoro-4-(4-fluorophenyl)quinolin-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 73349481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).