4-(7-chloroisoquinolin-3-yl)morpholine

C13H13ClN2O — CID 71182664

IUPAC4-(7-chloroisoquinolin-3-yl)morpholine
SMILESClc1ccc2cc(N3CCOCC3)ncc2c1
InChIInChI=1S/C13H13ClN2O/c14-12-2-1-10-8-13(15-9-11(10)7-12)16-3-5-17-6-4-16/h1-2,7-9H,3-6H2
InChIKeyVTGYLHRVQSJCNK-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.72
Rot. Bonds1

About 4-(7-chloroisoquinolin-3-yl)morpholine

4-(7-chloroisoquinolin-3-yl)morpholine (PubChem CID 71182664) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 4-(7-chloroisoquinolin-3-yl)morpholine.

Molecular Properties

Compound Name4-(7-chloroisoquinolin-3-yl)morpholine
PubChem CID71182664
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name4-(7-chloroisoquinolin-3-yl)morpholine
SMILESClc1ccc2cc(N3CCOCC3)ncc2c1
InChIInChI=1S/C13H13ClN2O/c14-12-2-1-10-8-13(15-9-11(10)7-12)16-3-5-17-6-4-16/h1-2,7-9H,3-6H2
InChIKeyVTGYLHRVQSJCNK-UHFFFAOYSA-N
XLogP2.72
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(7-chloroisoquinolin-3-yl)morpholine?
The IUPAC name of 4-(7-chloroisoquinolin-3-yl)morpholine (CID 71182664) is 4-(7-chloroisoquinolin-3-yl)morpholine.
What is the SMILES notation for 4-(7-chloroisoquinolin-3-yl)morpholine?
The canonical SMILES for 4-(7-chloroisoquinolin-3-yl)morpholine is Clc1ccc2cc(N3CCOCC3)ncc2c1.
What is the InChIKey of 4-(7-chloroisoquinolin-3-yl)morpholine?
The InChIKey is VTGYLHRVQSJCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c14-12-2-1-10-8-13(15-9-11(10)7-12)16-3-5-17-6-4-16/h1-2,7-9H,3-6H2.
What are the key properties of 4-(7-chloroisoquinolin-3-yl)morpholine?
4-(7-chloroisoquinolin-3-yl)morpholine has a molecular weight of 248.71 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloroisoquinolin-3-yl)morpholine is sourced from PubChem (CID 71182664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).