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

C15H15NO5 — CID 58939664

IUPAC4-methyl-7-morpholin-4-yl-2-oxochromene-3-carboxylic acid
SMILESCc1c(C(=O)O)c(=O)oc2cc(N3CCOCC3)ccc12
InChIInChI=1S/C15H15NO5/c1-9-11-3-2-10(16-4-6-20-7-5-16)8-12(11)21-15(19)13(9)14(17)18/h2-3,8H,4-7H2,1H3,(H,17,18)
InChIKeyHVSZDUPIOOOCKP-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.64
Rot. Bonds2

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

4-methyl-7-morpholin-4-yl-2-oxochromene-3-carboxylic acid (PubChem CID 58939664) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 4-methyl-7-morpholin-4-yl-2-oxochromene-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-7-morpholin-4-yl-2-oxochromene-3-carboxylic acid
PubChem CID58939664
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name4-methyl-7-morpholin-4-yl-2-oxochromene-3-carboxylic acid
SMILESCc1c(C(=O)O)c(=O)oc2cc(N3CCOCC3)ccc12
InChIInChI=1S/C15H15NO5/c1-9-11-3-2-10(16-4-6-20-7-5-16)8-12(11)21-15(19)13(9)14(17)18/h2-3,8H,4-7H2,1H3,(H,17,18)
InChIKeyHVSZDUPIOOOCKP-UHFFFAOYSA-N
XLogP1.64
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.64
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

7-morpholin-4-yl-2-oxochromene-3-carboxylic acid
CID 3469110
7-ethoxy-4-methyl-2-oxochromene-3-carboxylic acid
CID 102547088
[7-(2-carboxyphenyl)-10-morpholin-4-yl-6-oxochromeno[3,2-c]chromen-3-ylidene]-dimethylazanium
CID 123586541
6-bromo-4-methyl-2-oxochromene-3-carboxylic acid
CID 56650009
(2-oxopyrrolidin-1-yl) 2-[7-(azetidin-1-yl)-4-methyl-2-oxochromen-3-yl]acetate
CID 135134930
2,6-difluoro-4-morpholin-4-ylbenzoic acid;ethane
CID 170587481
4-methyl-6-nitro-2-oxochromene-3-carboxylic acid
CID 122370130
3-tert-butyl-2-hydroxy-6-methyl-5-(4-morpholin-4-ylphenyl)benzoic acid
CID 11962679
3-(2-methyl-6-morpholin-4-yl-1H-indol-3-yl)propanoic acid
CID 139519298
1-(8-hydroxy-6-morpholin-4-yl-9-oxoxanthen-3-yl)piperidine-4-carboxamide
CID 11487044
2,3-dimethyl-5-morpholin-4-ylbenzoic acid
CID 79694761
2-(2-methyl-4-morpholin-4-ylphenyl)propanamide
CID 142676470

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-morpholin-4-yl-2-oxochromene-3-carboxylic acid?
The IUPAC name of 4-methyl-7-morpholin-4-yl-2-oxochromene-3-carboxylic acid (CID 58939664) is 4-methyl-7-morpholin-4-yl-2-oxochromene-3-carboxylic acid.
What is the SMILES notation for 4-methyl-7-morpholin-4-yl-2-oxochromene-3-carboxylic acid?
The canonical SMILES for 4-methyl-7-morpholin-4-yl-2-oxochromene-3-carboxylic acid is Cc1c(C(=O)O)c(=O)oc2cc(N3CCOCC3)ccc12.
What is the InChIKey of 4-methyl-7-morpholin-4-yl-2-oxochromene-3-carboxylic acid?
The InChIKey is HVSZDUPIOOOCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-9-11-3-2-10(16-4-6-20-7-5-16)8-12(11)21-15(19)13(9)14(17)18/h2-3,8H,4-7H2,1H3,(H,17,18).
What are the key properties of 4-methyl-7-morpholin-4-yl-2-oxochromene-3-carboxylic acid?
4-methyl-7-morpholin-4-yl-2-oxochromene-3-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-morpholin-4-yl-2-oxochromene-3-carboxylic acid is sourced from PubChem (CID 58939664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).