(E)-3-(6-chloro-7-fluoro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol

C16H16ClFN2O2 — CID 73346431

IUPAC(E)-3-(6-chloro-7-fluoro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol
SMILESOC/C=C/c1cc(N2CCOCC2)c2cc(Cl)c(F)cc2n1
InChIInChI=1S/C16H16ClFN2O2/c17-13-9-12-15(10-14(13)18)19-11(2-1-5-21)8-16(12)20-3-6-22-7-4-20/h1-2,8-10,21H,3-7H2/b2-1+
InChIKeyUGFFAGRJSSPGRE-OWOJBTEDSA-N
MW322.77 g/mol
LogP2.87
Rot. Bonds3

About (E)-3-(6-chloro-7-fluoro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol

(E)-3-(6-chloro-7-fluoro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol (PubChem CID 73346431) has the molecular formula C16H16ClFN2O2 and a molecular weight of 322.77 g/mol. Its IUPAC name is (E)-3-(6-chloro-7-fluoro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(6-chloro-7-fluoro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol
PubChem CID73346431
Molecular FormulaC16H16ClFN2O2
Molecular Weight322.77 g/mol
Exact Mass322.09
IUPAC Name(E)-3-(6-chloro-7-fluoro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol
SMILESOC/C=C/c1cc(N2CCOCC2)c2cc(Cl)c(F)cc2n1
InChIInChI=1S/C16H16ClFN2O2/c17-13-9-12-15(10-14(13)18)19-11(2-1-5-21)8-16(12)20-3-6-22-7-4-20/h1-2,8-10,21H,3-7H2/b2-1+
InChIKeyUGFFAGRJSSPGRE-OWOJBTEDSA-N
XLogP2.87
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-chloro-7-fluoro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(6-chloro-7-fluoro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol (CID 73346431) is (E)-3-(6-chloro-7-fluoro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(6-chloro-7-fluoro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(6-chloro-7-fluoro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol is OC/C=C/c1cc(N2CCOCC2)c2cc(Cl)c(F)cc2n1.
What is the InChIKey of (E)-3-(6-chloro-7-fluoro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol?
The InChIKey is UGFFAGRJSSPGRE-OWOJBTEDSA-N. The full InChI is InChI=1S/C16H16ClFN2O2/c17-13-9-12-15(10-14(13)18)19-11(2-1-5-21)8-16(12)20-3-6-22-7-4-20/h1-2,8-10,21H,3-7H2/b2-1+.
What are the key properties of (E)-3-(6-chloro-7-fluoro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol?
(E)-3-(6-chloro-7-fluoro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol has a molecular weight of 322.77 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-chloro-7-fluoro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 73346431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).