8-acetyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid

C16H15NO6 — CID 58234981

IUPAC8-acetyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid
SMILESCC(=O)c1cc(C(=O)O)cc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C16H15NO6/c1-9(18)11-6-10(16(20)21)7-12-13(19)8-14(23-15(11)12)17-2-4-22-5-3-17/h6-8H,2-5H2,1H3,(H,20,21)
InChIKeyCRLMTNXLTUSOPJ-UHFFFAOYSA-N
MW317.30 g/mol
LogP1.53
Rot. Bonds3

About 8-acetyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid

8-acetyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid (PubChem CID 58234981) has the molecular formula C16H15NO6 and a molecular weight of 317.30 g/mol. Its IUPAC name is 8-acetyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid.

Molecular Properties

Compound Name8-acetyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid
PubChem CID58234981
Molecular FormulaC16H15NO6
Molecular Weight317.30 g/mol
Exact Mass317.09
IUPAC Name8-acetyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid
SMILESCC(=O)c1cc(C(=O)O)cc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C16H15NO6/c1-9(18)11-6-10(16(20)21)7-12-13(19)8-14(23-15(11)12)17-2-4-22-5-3-17/h6-8H,2-5H2,1H3,(H,20,21)
InChIKeyCRLMTNXLTUSOPJ-UHFFFAOYSA-N
XLogP1.53
TPSA97.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-ethenyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid;methanol
CID 164600760
8-acetyl-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide;8-[N-[(R)-tert-butylsulfinyl]-C-methylcarbonimidoyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
CID 159079391
8-bromo-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one
CID 86672414
(6,8-dimethyl-2-morpholin-4-yl-4-oxochromen-7-yl) acetate
CID 21460188
8-(4-acetylphenyl)-2-morpholin-4-ylchromen-4-one
CID 11710022
8-[1-(3-chloro-4-fluoroanilino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid
CID 58235047
8-(3-acetyl-5-bromophenyl)-2-morpholin-4-ylchromen-4-one
CID 172621521
8-methyl-2-morpholin-4-ylchromen-4-one
CID 10083230
8-(1-bromoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide;8-(1-hydroxyethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
CID 160531552
8-methyl-2-morpholin-4-yl-7-phenacyloxychromen-4-one
CID 15650864
methyl 2-morpholin-4-yl-4-oxo-8-(1H-pyrrol-2-yl)chromene-6-carboxylate
CID 174712994
8-acetyl-N-[2-(dimethylamino)ethyl]-4-oxo-2-(2-propylmorpholin-4-yl)chromene-6-carboxamide
CID 123829839

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid?
The IUPAC name of 8-acetyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid (CID 58234981) is 8-acetyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid.
What is the SMILES notation for 8-acetyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid?
The canonical SMILES for 8-acetyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid is CC(=O)c1cc(C(=O)O)cc2c(=O)cc(N3CCOCC3)oc12.
What is the InChIKey of 8-acetyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid?
The InChIKey is CRLMTNXLTUSOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO6/c1-9(18)11-6-10(16(20)21)7-12-13(19)8-14(23-15(11)12)17-2-4-22-5-3-17/h6-8H,2-5H2,1H3,(H,20,21).
What are the key properties of 8-acetyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid?
8-acetyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid has a molecular weight of 317.30 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid is sourced from PubChem (CID 58234981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).