7-morpholin-4-yl-2-oxochromene-3-carboxylic acid

C14H13NO5 — CID 3469110

IUPAC7-morpholin-4-yl-2-oxochromene-3-carboxylic acid
SMILESO=C(O)c1cc2ccc(N3CCOCC3)cc2oc1=O
InChIInChI=1S/C14H13NO5/c16-13(17)11-7-9-1-2-10(8-12(9)20-14(11)18)15-3-5-19-6-4-15/h1-2,7-8H,3-6H2,(H,16,17)
InChIKeyKCTFUVGCNPZNQR-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.33
Rot. Bonds2

About 7-morpholin-4-yl-2-oxochromene-3-carboxylic acid

7-morpholin-4-yl-2-oxochromene-3-carboxylic acid (PubChem CID 3469110) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 7-morpholin-4-yl-2-oxochromene-3-carboxylic acid.

Molecular Properties

Compound Name7-morpholin-4-yl-2-oxochromene-3-carboxylic acid
PubChem CID3469110
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name7-morpholin-4-yl-2-oxochromene-3-carboxylic acid
SMILESO=C(O)c1cc2ccc(N3CCOCC3)cc2oc1=O
InChIInChI=1S/C14H13NO5/c16-13(17)11-7-9-1-2-10(8-12(9)20-14(11)18)15-3-5-19-6-4-15/h1-2,7-8H,3-6H2,(H,16,17)
InChIKeyKCTFUVGCNPZNQR-UHFFFAOYSA-N
XLogP1.33
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-oxo-7-pyrrolidin-1-ylchromene-3-carboxylate
CID 139267053
3-but-2-en-2-yl-7-pyrrolidin-1-ylchromen-2-one
CID 123593806
4-methyl-7-morpholin-4-yl-2-oxochromene-3-carboxylic acid
CID 58939664
7-[16-(3-carboxy-6-methoxy-2-oxochromen-7-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-6-methoxy-2-oxochromene-3-carboxylic acid
CID 10259154
3-(1-benzofuran-2-carbonyl)-7-pyrrolidin-1-ylchromen-2-one
CID 21217315
N'-hydroxy-2-oxo-7-piperidin-1-ylchromene-3-carboximidamide
CID 118041590
N-(5-morpholin-4-yl-2-pyridinyl)-2-oxochromene-3-carboxamide
CID 47020558
7-(hydroxymethyl)-2-oxochromene-3-carboxylic acid
CID 89307661
7-(4-tert-butylpiperazin-1-yl)-2-oxo-N-phenylchromene-3-carboxamide
CID 141376588
2-oxochromene-3-carboxylic acid
CID 161011590
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 7752429
6-[2-(3-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxylic acid
CID 159769323

Frequently Asked Questions

What is the IUPAC name of 7-morpholin-4-yl-2-oxochromene-3-carboxylic acid?
The IUPAC name of 7-morpholin-4-yl-2-oxochromene-3-carboxylic acid (CID 3469110) is 7-morpholin-4-yl-2-oxochromene-3-carboxylic acid.
What is the SMILES notation for 7-morpholin-4-yl-2-oxochromene-3-carboxylic acid?
The canonical SMILES for 7-morpholin-4-yl-2-oxochromene-3-carboxylic acid is O=C(O)c1cc2ccc(N3CCOCC3)cc2oc1=O.
What is the InChIKey of 7-morpholin-4-yl-2-oxochromene-3-carboxylic acid?
The InChIKey is KCTFUVGCNPZNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c16-13(17)11-7-9-1-2-10(8-12(9)20-14(11)18)15-3-5-19-6-4-15/h1-2,7-8H,3-6H2,(H,16,17).
What are the key properties of 7-morpholin-4-yl-2-oxochromene-3-carboxylic acid?
7-morpholin-4-yl-2-oxochromene-3-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-morpholin-4-yl-2-oxochromene-3-carboxylic acid is sourced from PubChem (CID 3469110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).