2-cinnolin-3-ylmorpholine

C12H13N3O — CID 116988006

IUPAC2-cinnolin-3-ylmorpholine
SMILESc1ccc2nnc(C3CNCCO3)cc2c1
InChIInChI=1S/C12H13N3O/c1-2-4-10-9(3-1)7-11(15-14-10)12-8-13-5-6-16-12/h1-4,7,12-13H,5-6,8H2
InChIKeyQMFVTTIGAKRXEI-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.29
Rot. Bonds1

About 2-cinnolin-3-ylmorpholine

2-cinnolin-3-ylmorpholine (PubChem CID 116988006) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-cinnolin-3-ylmorpholine.

Molecular Properties

Compound Name2-cinnolin-3-ylmorpholine
PubChem CID116988006
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-cinnolin-3-ylmorpholine
SMILESc1ccc2nnc(C3CNCCO3)cc2c1
InChIInChI=1S/C12H13N3O/c1-2-4-10-9(3-1)7-11(15-14-10)12-8-13-5-6-16-12/h1-4,7,12-13H,5-6,8H2
InChIKeyQMFVTTIGAKRXEI-UHFFFAOYSA-N
XLogP1.29
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-2-ylmorpholine
CID 19353403
2-(6-tert-butylpyridazin-3-yl)morpholine
CID 140941619
azane;2-phenylmorpholine
CID 174664757
2-[(2S)-morpholin-2-yl]-3H-quinazolin-4-one
CID 178029081
morpholin-4-yl-(2-morpholin-2-ylquinolin-4-yl)methanone
CID 110089333
(2R)-2-(5-methyl-1H-pyrazol-3-yl)morpholine
CID 96740317
2-(2-methylpyrimidin-4-yl)morpholine
CID 66509815
N-(2-hydroxyethyl)-2-[(2R)-morpholin-2-yl]quinoline-4-carboxamide
CID 125006709
3-[6-[(2R)-morpholin-2-yl]-2-pyridinyl]benzamide
CID 124977411
ethanesulfonic acid;1-morpholin-2-ylisoquinolin-3-amine
CID 86738336
2-(6-bromo-5-methyl-2-pyridinyl)morpholine
CID 86586429
(2R)-2-pyrimidin-4-ylmorpholine
CID 92615197

Frequently Asked Questions

What is the IUPAC name of 2-cinnolin-3-ylmorpholine?
The IUPAC name of 2-cinnolin-3-ylmorpholine (CID 116988006) is 2-cinnolin-3-ylmorpholine.
What is the SMILES notation for 2-cinnolin-3-ylmorpholine?
The canonical SMILES for 2-cinnolin-3-ylmorpholine is c1ccc2nnc(C3CNCCO3)cc2c1.
What is the InChIKey of 2-cinnolin-3-ylmorpholine?
The InChIKey is QMFVTTIGAKRXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-2-4-10-9(3-1)7-11(15-14-10)12-8-13-5-6-16-12/h1-4,7,12-13H,5-6,8H2.
What are the key properties of 2-cinnolin-3-ylmorpholine?
2-cinnolin-3-ylmorpholine has a molecular weight of 215.26 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cinnolin-3-ylmorpholine is sourced from PubChem (CID 116988006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).