2-[[(7-chloro-4-oxochromene-2-carbonyl)amino]methyl]morpholine-4-carboxamide

C16H16ClN3O5 — CID 166244484

IUPAC2-[[(7-chloro-4-oxochromene-2-carbonyl)amino]methyl]morpholine-4-carboxamide
SMILESNC(=O)N1CCOC(CNC(=O)c2cc(=O)c3ccc(Cl)cc3o2)C1
InChIInChI=1S/C16H16ClN3O5/c17-9-1-2-11-12(21)6-14(25-13(11)5-9)15(22)19-7-10-8-20(16(18)23)3-4-24-10/h1-2,5-6,10H,3-4,7-8H2,(H2,18,23)(H,19,22)
InChIKeyQAPDYFWNXWNNOM-UHFFFAOYSA-N
MW365.77 g/mol
LogP0.96
Rot. Bonds3

About 2-[[(7-chloro-4-oxochromene-2-carbonyl)amino]methyl]morpholine-4-carboxamide

2-[[(7-chloro-4-oxochromene-2-carbonyl)amino]methyl]morpholine-4-carboxamide (PubChem CID 166244484) has the molecular formula C16H16ClN3O5 and a molecular weight of 365.77 g/mol. Its IUPAC name is 2-[[(7-chloro-4-oxochromene-2-carbonyl)amino]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-[[(7-chloro-4-oxochromene-2-carbonyl)amino]methyl]morpholine-4-carboxamide
PubChem CID166244484
Molecular FormulaC16H16ClN3O5
Molecular Weight365.77 g/mol
Exact Mass365.08
IUPAC Name2-[[(7-chloro-4-oxochromene-2-carbonyl)amino]methyl]morpholine-4-carboxamide
SMILESNC(=O)N1CCOC(CNC(=O)c2cc(=O)c3ccc(Cl)cc3o2)C1
InChIInChI=1S/C16H16ClN3O5/c17-9-1-2-11-12(21)6-14(25-13(11)5-9)15(22)19-7-10-8-20(16(18)23)3-4-24-10/h1-2,5-6,10H,3-4,7-8H2,(H2,18,23)(H,19,22)
InChIKeyQAPDYFWNXWNNOM-UHFFFAOYSA-N
XLogP0.96
TPSA114.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.77
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(7-chloro-4-oxochromene-2-carbonyl)amino]methyl]morpholine-4-carboxamide?
The IUPAC name of 2-[[(7-chloro-4-oxochromene-2-carbonyl)amino]methyl]morpholine-4-carboxamide (CID 166244484) is 2-[[(7-chloro-4-oxochromene-2-carbonyl)amino]methyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-[[(7-chloro-4-oxochromene-2-carbonyl)amino]methyl]morpholine-4-carboxamide?
The canonical SMILES for 2-[[(7-chloro-4-oxochromene-2-carbonyl)amino]methyl]morpholine-4-carboxamide is NC(=O)N1CCOC(CNC(=O)c2cc(=O)c3ccc(Cl)cc3o2)C1.
What is the InChIKey of 2-[[(7-chloro-4-oxochromene-2-carbonyl)amino]methyl]morpholine-4-carboxamide?
The InChIKey is QAPDYFWNXWNNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O5/c17-9-1-2-11-12(21)6-14(25-13(11)5-9)15(22)19-7-10-8-20(16(18)23)3-4-24-10/h1-2,5-6,10H,3-4,7-8H2,(H2,18,23)(H,19,22).
What are the key properties of 2-[[(7-chloro-4-oxochromene-2-carbonyl)amino]methyl]morpholine-4-carboxamide?
2-[[(7-chloro-4-oxochromene-2-carbonyl)amino]methyl]morpholine-4-carboxamide has a molecular weight of 365.77 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(7-chloro-4-oxochromene-2-carbonyl)amino]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 166244484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).