2-[3-(morpholine-4-carbonyl)azetidin-1-yl]quinoline-3-carbonitrile

C18H18N4O2 — CID 163353105

IUPAC2-[3-(morpholine-4-carbonyl)azetidin-1-yl]quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1N1CC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C18H18N4O2/c19-10-14-9-13-3-1-2-4-16(13)20-17(14)22-11-15(12-22)18(23)21-5-7-24-8-6-21/h1-4,9,15H,5-8,11-12H2
InChIKeyBOBKPBZXUJFHOK-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.40
Rot. Bonds2

About 2-[3-(morpholine-4-carbonyl)azetidin-1-yl]quinoline-3-carbonitrile

2-[3-(morpholine-4-carbonyl)azetidin-1-yl]quinoline-3-carbonitrile (PubChem CID 163353105) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-[3-(morpholine-4-carbonyl)azetidin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[3-(morpholine-4-carbonyl)azetidin-1-yl]quinoline-3-carbonitrile
PubChem CID163353105
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-[3-(morpholine-4-carbonyl)azetidin-1-yl]quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1N1CC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C18H18N4O2/c19-10-14-9-13-3-1-2-4-16(13)20-17(14)22-11-15(12-22)18(23)21-5-7-24-8-6-21/h1-4,9,15H,5-8,11-12H2
InChIKeyBOBKPBZXUJFHOK-UHFFFAOYSA-N
XLogP1.40
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(morpholine-4-carbonyl)azetidin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 2-[3-(morpholine-4-carbonyl)azetidin-1-yl]quinoline-3-carbonitrile (CID 163353105) is 2-[3-(morpholine-4-carbonyl)azetidin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 2-[3-(morpholine-4-carbonyl)azetidin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 2-[3-(morpholine-4-carbonyl)azetidin-1-yl]quinoline-3-carbonitrile is N#Cc1cc2ccccc2nc1N1CC(C(=O)N2CCOCC2)C1.
What is the InChIKey of 2-[3-(morpholine-4-carbonyl)azetidin-1-yl]quinoline-3-carbonitrile?
The InChIKey is BOBKPBZXUJFHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c19-10-14-9-13-3-1-2-4-16(13)20-17(14)22-11-15(12-22)18(23)21-5-7-24-8-6-21/h1-4,9,15H,5-8,11-12H2.
What are the key properties of 2-[3-(morpholine-4-carbonyl)azetidin-1-yl]quinoline-3-carbonitrile?
2-[3-(morpholine-4-carbonyl)azetidin-1-yl]quinoline-3-carbonitrile has a molecular weight of 322.37 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(morpholine-4-carbonyl)azetidin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 163353105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).