1-(morpholin-2-ylmethyl)cinnolin-4-one

C13H15N3O2 — CID 64535063

IUPAC1-(morpholin-2-ylmethyl)cinnolin-4-one
SMILESO=c1cnn(CC2CNCCO2)c2ccccc12
InChIInChI=1S/C13H15N3O2/c17-13-8-15-16(9-10-7-14-5-6-18-10)12-4-2-1-3-11(12)13/h1-4,8,10,14H,5-7,9H2
InChIKeyHWWWOVXXFLRJSD-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.38
Rot. Bonds2

About 1-(morpholin-2-ylmethyl)cinnolin-4-one

1-(morpholin-2-ylmethyl)cinnolin-4-one (PubChem CID 64535063) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(morpholin-2-ylmethyl)cinnolin-4-one.

Molecular Properties

Compound Name1-(morpholin-2-ylmethyl)cinnolin-4-one
PubChem CID64535063
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-(morpholin-2-ylmethyl)cinnolin-4-one
SMILESO=c1cnn(CC2CNCCO2)c2ccccc12
InChIInChI=1S/C13H15N3O2/c17-13-8-15-16(9-10-7-14-5-6-18-10)12-4-2-1-3-11(12)13/h1-4,8,10,14H,5-7,9H2
InChIKeyHWWWOVXXFLRJSD-UHFFFAOYSA-N
XLogP0.38
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-piperidin-3-ylethyl)cinnolin-4-one
CID 62356873
2-[[(2S)-morpholin-2-yl]methyl]isoindole-1,3-dione
CID 6932395
5-(dimethylamino)-2-(morpholin-2-ylmethyl)pyridazin-3-one
CID 114395880
5-morpholin-4-yl-2-(morpholin-2-ylmethyl)pyridazin-3-one
CID 114395891
1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]cinnolin-4-one;hydrochloride
CID 120956611
2-(4-oxocinnolin-1-yl)acetic acid
CID 7131158
2-(morpholin-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 115324338
(2R)-4-[2-(4-oxocinnolin-1-yl)acetyl]morpholine-2-carboxylic acid
CID 129352878
1-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]cinnolin-4-one;hydrochloride
CID 120730643
1-methyl-3-(morpholin-2-ylmethyl)imidazol-2-one
CID 80580840
2-[(4-chloropyrazol-1-yl)methyl]morpholine
CID 64535065
(Z)-but-2-enedioic acid;3-(morpholin-2-ylmethyl)-1-phenylimidazo[4,5-b]pyridin-2-one
CID 86736079

Frequently Asked Questions

What is the IUPAC name of 1-(morpholin-2-ylmethyl)cinnolin-4-one?
The IUPAC name of 1-(morpholin-2-ylmethyl)cinnolin-4-one (CID 64535063) is 1-(morpholin-2-ylmethyl)cinnolin-4-one.
What is the SMILES notation for 1-(morpholin-2-ylmethyl)cinnolin-4-one?
The canonical SMILES for 1-(morpholin-2-ylmethyl)cinnolin-4-one is O=c1cnn(CC2CNCCO2)c2ccccc12.
What is the InChIKey of 1-(morpholin-2-ylmethyl)cinnolin-4-one?
The InChIKey is HWWWOVXXFLRJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-13-8-15-16(9-10-7-14-5-6-18-10)12-4-2-1-3-11(12)13/h1-4,8,10,14H,5-7,9H2.
What are the key properties of 1-(morpholin-2-ylmethyl)cinnolin-4-one?
1-(morpholin-2-ylmethyl)cinnolin-4-one has a molecular weight of 245.28 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(morpholin-2-ylmethyl)cinnolin-4-one is sourced from PubChem (CID 64535063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).