(E)-3-[6-chloro-4-(2,6-dimethylmorpholin-4-yl)-7-fluoroquinolin-2-yl]prop-2-en-1-ol

C18H20ClFN2O2 — CID 73357069

IUPAC(E)-3-[6-chloro-4-(2,6-dimethylmorpholin-4-yl)-7-fluoroquinolin-2-yl]prop-2-en-1-ol
SMILESCC1CN(c2cc(/C=C/CO)nc3cc(F)c(Cl)cc23)CC(C)O1
InChIInChI=1S/C18H20ClFN2O2/c1-11-9-22(10-12(2)24-11)18-6-13(4-3-5-23)21-17-8-16(20)15(19)7-14(17)18/h3-4,6-8,11-12,23H,5,9-10H2,1-2H3/b4-3+
InChIKeyYWRPHXMRUYEACS-ONEGZZNKSA-N
MW350.82 g/mol
LogP3.65
Rot. Bonds3

About (E)-3-[6-chloro-4-(2,6-dimethylmorpholin-4-yl)-7-fluoroquinolin-2-yl]prop-2-en-1-ol

(E)-3-[6-chloro-4-(2,6-dimethylmorpholin-4-yl)-7-fluoroquinolin-2-yl]prop-2-en-1-ol (PubChem CID 73357069) has the molecular formula C18H20ClFN2O2 and a molecular weight of 350.82 g/mol. Its IUPAC name is (E)-3-[6-chloro-4-(2,6-dimethylmorpholin-4-yl)-7-fluoroquinolin-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[6-chloro-4-(2,6-dimethylmorpholin-4-yl)-7-fluoroquinolin-2-yl]prop-2-en-1-ol
PubChem CID73357069
Molecular FormulaC18H20ClFN2O2
Molecular Weight350.82 g/mol
Exact Mass350.12
IUPAC Name(E)-3-[6-chloro-4-(2,6-dimethylmorpholin-4-yl)-7-fluoroquinolin-2-yl]prop-2-en-1-ol
SMILESCC1CN(c2cc(/C=C/CO)nc3cc(F)c(Cl)cc23)CC(C)O1
InChIInChI=1S/C18H20ClFN2O2/c1-11-9-22(10-12(2)24-11)18-6-13(4-3-5-23)21-17-8-16(20)15(19)7-14(17)18/h3-4,6-8,11-12,23H,5,9-10H2,1-2H3/b4-3+
InChIKeyYWRPHXMRUYEACS-ONEGZZNKSA-N
XLogP3.65
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.82
LogP ≤ 53.65
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-4-(2,6-dimethylmorpholin-4-yl)-7-fluoroquinolin-2-yl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[6-chloro-4-(2,6-dimethylmorpholin-4-yl)-7-fluoroquinolin-2-yl]prop-2-en-1-ol (CID 73357069) is (E)-3-[6-chloro-4-(2,6-dimethylmorpholin-4-yl)-7-fluoroquinolin-2-yl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[6-chloro-4-(2,6-dimethylmorpholin-4-yl)-7-fluoroquinolin-2-yl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[6-chloro-4-(2,6-dimethylmorpholin-4-yl)-7-fluoroquinolin-2-yl]prop-2-en-1-ol is CC1CN(c2cc(/C=C/CO)nc3cc(F)c(Cl)cc23)CC(C)O1.
What is the InChIKey of (E)-3-[6-chloro-4-(2,6-dimethylmorpholin-4-yl)-7-fluoroquinolin-2-yl]prop-2-en-1-ol?
The InChIKey is YWRPHXMRUYEACS-ONEGZZNKSA-N. The full InChI is InChI=1S/C18H20ClFN2O2/c1-11-9-22(10-12(2)24-11)18-6-13(4-3-5-23)21-17-8-16(20)15(19)7-14(17)18/h3-4,6-8,11-12,23H,5,9-10H2,1-2H3/b4-3+.
What are the key properties of (E)-3-[6-chloro-4-(2,6-dimethylmorpholin-4-yl)-7-fluoroquinolin-2-yl]prop-2-en-1-ol?
(E)-3-[6-chloro-4-(2,6-dimethylmorpholin-4-yl)-7-fluoroquinolin-2-yl]prop-2-en-1-ol has a molecular weight of 350.82 g/mol, XLogP of 3.65, 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-4-(2,6-dimethylmorpholin-4-yl)-7-fluoroquinolin-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 73357069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).