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

C16H17ClN2O2 — CID 73353991

IUPAC(E)-3-(6-chloro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol
SMILESOC/C=C/c1cc(N2CCOCC2)c2cc(Cl)ccc2n1
InChIInChI=1S/C16H17ClN2O2/c17-12-3-4-15-14(10-12)16(19-5-8-21-9-6-19)11-13(18-15)2-1-7-20/h1-4,10-11,20H,5-9H2/b2-1+
InChIKeyQRPVRCZKWOVXBP-OWOJBTEDSA-N
MW304.78 g/mol
LogP2.73
Rot. Bonds3

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

(E)-3-(6-chloro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol (PubChem CID 73353991) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is (E)-3-(6-chloro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(6-chloro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol
PubChem CID73353991
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name(E)-3-(6-chloro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol
SMILESOC/C=C/c1cc(N2CCOCC2)c2cc(Cl)ccc2n1
InChIInChI=1S/C16H17ClN2O2/c17-12-3-4-15-14(10-12)16(19-5-8-21-9-6-19)11-13(18-15)2-1-7-20/h1-4,10-11,20H,5-9H2/b2-1+
InChIKeyQRPVRCZKWOVXBP-OWOJBTEDSA-N
XLogP2.73
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (E)-3-(6-chloro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-chloro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(6-chloro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol (CID 73353991) is (E)-3-(6-chloro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(6-chloro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(6-chloro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol is OC/C=C/c1cc(N2CCOCC2)c2cc(Cl)ccc2n1.
What is the InChIKey of (E)-3-(6-chloro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol?
The InChIKey is QRPVRCZKWOVXBP-OWOJBTEDSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c17-12-3-4-15-14(10-12)16(19-5-8-21-9-6-19)11-13(18-15)2-1-7-20/h1-4,10-11,20H,5-9H2/b2-1+.
What are the key properties of (E)-3-(6-chloro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol?
(E)-3-(6-chloro-4-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol has a molecular weight of 304.78 g/mol, XLogP of 2.73, 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-morpholin-4-ylquinolin-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 73353991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).