[1-(6-chloroquinolin-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone

C17H18ClN3O2 — CID 163354844

IUPAC[1-(6-chloroquinolin-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CN(c2ccc3cc(Cl)ccc3n2)C1)N1CCOCC1
InChIInChI=1S/C17H18ClN3O2/c18-14-2-3-15-12(9-14)1-4-16(19-15)21-10-13(11-21)17(22)20-5-7-23-8-6-20/h1-4,9,13H,5-8,10-11H2
InChIKeyKWGFUIHDBWRYSS-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.18
Rot. Bonds2

About [1-(6-chloroquinolin-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone

[1-(6-chloroquinolin-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 163354844) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is [1-(6-chloroquinolin-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(6-chloroquinolin-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone
PubChem CID163354844
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name[1-(6-chloroquinolin-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CN(c2ccc3cc(Cl)ccc3n2)C1)N1CCOCC1
InChIInChI=1S/C17H18ClN3O2/c18-14-2-3-15-12(9-14)1-4-16(19-15)21-10-13(11-21)17(22)20-5-7-23-8-6-20/h1-4,9,13H,5-8,10-11H2
InChIKeyKWGFUIHDBWRYSS-UHFFFAOYSA-N
XLogP2.18
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(6-chloroquinolin-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(6-chloroquinolin-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone (CID 163354844) is [1-(6-chloroquinolin-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(6-chloroquinolin-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(6-chloroquinolin-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone is O=C(C1CN(c2ccc3cc(Cl)ccc3n2)C1)N1CCOCC1.
What is the InChIKey of [1-(6-chloroquinolin-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is KWGFUIHDBWRYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-14-2-3-15-12(9-14)1-4-16(19-15)21-10-13(11-21)17(22)20-5-7-23-8-6-20/h1-4,9,13H,5-8,10-11H2.
What are the key properties of [1-(6-chloroquinolin-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone?
[1-(6-chloroquinolin-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 331.80 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloroquinolin-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 163354844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).