6-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide

C17H20N2O4 — CID 100794566

IUPAC6-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide
SMILESCc1ccc2oc(=O)c(C(=O)NCCN3CCOCC3)cc2c1
InChIInChI=1S/C17H20N2O4/c1-12-2-3-15-13(10-12)11-14(17(21)23-15)16(20)18-4-5-19-6-8-22-9-7-19/h2-3,10-11H,4-9H2,1H3,(H,18,20)
InChIKeyBQRIKHVZCKHHFX-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.16
Rot. Bonds4

About 6-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide

6-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide (PubChem CID 100794566) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 6-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide
PubChem CID100794566
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name6-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide
SMILESCc1ccc2oc(=O)c(C(=O)NCCN3CCOCC3)cc2c1
InChIInChI=1S/C17H20N2O4/c1-12-2-3-15-13(10-12)11-14(17(21)23-15)16(20)18-4-5-19-6-8-22-9-7-19/h2-3,10-11H,4-9H2,1H3,(H,18,20)
InChIKeyBQRIKHVZCKHHFX-UHFFFAOYSA-N
XLogP1.16
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.16
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

8-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide
CID 100794305
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
1,2-dimethyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide
CID 91130996
7-ethoxy-2-oxo-N-(2-piperidin-1-ylethyl)chromene-3-carboxamide
CID 5262868
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4110000
2-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzamide
CID 110764588
2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide
CID 110849673
5-bromo-2-hydroxy-N-(2-morpholin-4-ylethyl)benzamide
CID 47100697
2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51072890
2-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]chromene-3-carboxamide
CID 110741030

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide?
The IUPAC name of 6-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide (CID 100794566) is 6-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 6-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide is Cc1ccc2oc(=O)c(C(=O)NCCN3CCOCC3)cc2c1.
What is the InChIKey of 6-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide?
The InChIKey is BQRIKHVZCKHHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-12-2-3-15-13(10-12)11-14(17(21)23-15)16(20)18-4-5-19-6-8-22-9-7-19/h2-3,10-11H,4-9H2,1H3,(H,18,20).
What are the key properties of 6-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide?
6-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 100794566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).