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

C18H13ClFNO — CID 73347938

IUPAC(E)-3-[6-chloro-4-(4-fluorophenyl)quinolin-2-yl]prop-2-en-1-ol
SMILESOC/C=C/c1cc(-c2ccc(F)cc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C18H13ClFNO/c19-13-5-8-18-17(10-13)16(11-15(21-18)2-1-9-22)12-3-6-14(20)7-4-12/h1-8,10-11,22H,9H2/b2-1+
InChIKeyCRRYLNBLJUUOKY-OWOJBTEDSA-N
MW313.76 g/mol
LogP4.70
Rot. Bonds3

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

(E)-3-[6-chloro-4-(4-fluorophenyl)quinolin-2-yl]prop-2-en-1-ol (PubChem CID 73347938) has the molecular formula C18H13ClFNO and a molecular weight of 313.76 g/mol. Its IUPAC name is (E)-3-[6-chloro-4-(4-fluorophenyl)quinolin-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[6-chloro-4-(4-fluorophenyl)quinolin-2-yl]prop-2-en-1-ol
PubChem CID73347938
Molecular FormulaC18H13ClFNO
Molecular Weight313.76 g/mol
Exact Mass313.07
IUPAC Name(E)-3-[6-chloro-4-(4-fluorophenyl)quinolin-2-yl]prop-2-en-1-ol
SMILESOC/C=C/c1cc(-c2ccc(F)cc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C18H13ClFNO/c19-13-5-8-18-17(10-13)16(11-15(21-18)2-1-9-22)12-3-6-14(20)7-4-12/h1-8,10-11,22H,9H2/b2-1+
InChIKeyCRRYLNBLJUUOKY-OWOJBTEDSA-N
XLogP4.70
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 54.70
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-4-(4-fluorophenyl)quinolin-2-yl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[6-chloro-4-(4-fluorophenyl)quinolin-2-yl]prop-2-en-1-ol (CID 73347938) is (E)-3-[6-chloro-4-(4-fluorophenyl)quinolin-2-yl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[6-chloro-4-(4-fluorophenyl)quinolin-2-yl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[6-chloro-4-(4-fluorophenyl)quinolin-2-yl]prop-2-en-1-ol is OC/C=C/c1cc(-c2ccc(F)cc2)c2cc(Cl)ccc2n1.
What is the InChIKey of (E)-3-[6-chloro-4-(4-fluorophenyl)quinolin-2-yl]prop-2-en-1-ol?
The InChIKey is CRRYLNBLJUUOKY-OWOJBTEDSA-N. The full InChI is InChI=1S/C18H13ClFNO/c19-13-5-8-18-17(10-13)16(11-15(21-18)2-1-9-22)12-3-6-14(20)7-4-12/h1-8,10-11,22H,9H2/b2-1+.
What are the key properties of (E)-3-[6-chloro-4-(4-fluorophenyl)quinolin-2-yl]prop-2-en-1-ol?
(E)-3-[6-chloro-4-(4-fluorophenyl)quinolin-2-yl]prop-2-en-1-ol has a molecular weight of 313.76 g/mol, XLogP of 4.70, 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-4-(4-fluorophenyl)quinolin-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 73347938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).