4-(morpholine-4-carbonyl)isochromen-1-one

C14H13NO4 — CID 10467730

IUPAC4-(morpholine-4-carbonyl)isochromen-1-one
SMILESO=C(c1coc(=O)c2ccccc12)N1CCOCC1
InChIInChI=1S/C14H13NO4/c16-13(15-5-7-18-8-6-15)12-9-19-14(17)11-4-2-1-3-10(11)12/h1-4,9H,5-8H2
InChIKeyKVIHJKUVSAAHPO-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.27
Rot. Bonds1

About 4-(morpholine-4-carbonyl)isochromen-1-one

4-(morpholine-4-carbonyl)isochromen-1-one (PubChem CID 10467730) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-(morpholine-4-carbonyl)isochromen-1-one.

Molecular Properties

Compound Name4-(morpholine-4-carbonyl)isochromen-1-one
PubChem CID10467730
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name4-(morpholine-4-carbonyl)isochromen-1-one
SMILESO=C(c1coc(=O)c2ccccc12)N1CCOCC1
InChIInChI=1S/C14H13NO4/c16-13(15-5-7-18-8-6-15)12-9-19-14(17)11-4-2-1-3-10(11)12/h1-4,9H,5-8H2
InChIKeyKVIHJKUVSAAHPO-UHFFFAOYSA-N
XLogP1.27
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812
morpholin-4-yl-(1-morpholin-4-ylisoquinolin-4-yl)methanone
CID 46360302
3-(1,4,7,10,13-pentaoxa-16-azacyclooctadecane-16-carbonyl)benzo[h]chromen-2-one
CID 102583180
[1-(methylamino)isoquinolin-4-yl]-morpholin-4-ylmethanone
CID 106770053
1-[2-(morpholine-4-carbonyl)phenyl]pyridin-2-one
CID 6425155
(1-hydroxy-4-methylnaphthalen-2-yl)-morpholin-4-ylmethanone
CID 20719419
2-[2-(morpholine-4-carbonyl)phenyl]-1,2-benzothiazol-3-one
CID 16749998
2-(morpholine-4-carbonyl)benzonitrile
CID 11378923
2-[2-(morpholine-4-carbonyl)phenyl]isoindole-1,3-dione
CID 4933006
2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)isoquinolin-1-one
CID 14891733
1-methyl-4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)quinolin-2-one
CID 46979096
morpholin-4-yl-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone
CID 15992231

Frequently Asked Questions

What is the IUPAC name of 4-(morpholine-4-carbonyl)isochromen-1-one?
The IUPAC name of 4-(morpholine-4-carbonyl)isochromen-1-one (CID 10467730) is 4-(morpholine-4-carbonyl)isochromen-1-one.
What is the SMILES notation for 4-(morpholine-4-carbonyl)isochromen-1-one?
The canonical SMILES for 4-(morpholine-4-carbonyl)isochromen-1-one is O=C(c1coc(=O)c2ccccc12)N1CCOCC1.
What is the InChIKey of 4-(morpholine-4-carbonyl)isochromen-1-one?
The InChIKey is KVIHJKUVSAAHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-13(15-5-7-18-8-6-15)12-9-19-14(17)11-4-2-1-3-10(11)12/h1-4,9H,5-8H2.
What are the key properties of 4-(morpholine-4-carbonyl)isochromen-1-one?
4-(morpholine-4-carbonyl)isochromen-1-one has a molecular weight of 259.26 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholine-4-carbonyl)isochromen-1-one is sourced from PubChem (CID 10467730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).