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

C16H17Cl2FN2O2 — CID 73357074

IUPAC(E)-3-(6-chloro-7-fluoro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol;hydrochloride
SMILESCl.OC/C=C/c1cc(N2CCOCC2)c2cc(Cl)c(F)cc2n1
InChIInChI=1S/C16H16ClFN2O2.ClH/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;1H/b2-1+;
InChIKeyXWRXTRLCWGQJGM-TYYBGVCCSA-N
MW359.23 g/mol
LogP3.29
Rot. Bonds3

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

(E)-3-(6-chloro-7-fluoro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol;hydrochloride (PubChem CID 73357074) has the molecular formula C16H17Cl2FN2O2 and a molecular weight of 359.23 g/mol. Its IUPAC name is (E)-3-(6-chloro-7-fluoro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol;hydrochloride.

Molecular Properties

Compound Name(E)-3-(6-chloro-7-fluoro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol;hydrochloride
PubChem CID73357074
Molecular FormulaC16H17Cl2FN2O2
Molecular Weight359.23 g/mol
Exact Mass358.07
IUPAC Name(E)-3-(6-chloro-7-fluoro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol;hydrochloride
SMILESCl.OC/C=C/c1cc(N2CCOCC2)c2cc(Cl)c(F)cc2n1
InChIInChI=1S/C16H16ClFN2O2.ClH/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;1H/b2-1+;
InChIKeyXWRXTRLCWGQJGM-TYYBGVCCSA-N
XLogP3.29
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 53.29
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;hydrochloride?
The IUPAC name of (E)-3-(6-chloro-7-fluoro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol;hydrochloride (CID 73357074) is (E)-3-(6-chloro-7-fluoro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol;hydrochloride.
What is the SMILES notation for (E)-3-(6-chloro-7-fluoro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol;hydrochloride?
The canonical SMILES for (E)-3-(6-chloro-7-fluoro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol;hydrochloride is Cl.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;hydrochloride?
The InChIKey is XWRXTRLCWGQJGM-TYYBGVCCSA-N. The full InChI is InChI=1S/C16H16ClFN2O2.ClH/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;1H/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;hydrochloride?
(E)-3-(6-chloro-7-fluoro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol;hydrochloride has a molecular weight of 359.23 g/mol, XLogP of 3.29, 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;hydrochloride is sourced from PubChem (CID 73357074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).