8-bromo-N-ethyl-2-morpholin-4-yl-4-oxo-N-propylchromene-6-carboxamide

C19H23BrN2O4 — CID 123609418

IUPAC8-bromo-N-ethyl-2-morpholin-4-yl-4-oxo-N-propylchromene-6-carboxamide
SMILESCCCN(CC)C(=O)c1cc(Br)c2oc(N3CCOCC3)cc(=O)c2c1
InChIInChI=1S/C19H23BrN2O4/c1-3-5-21(4-2)19(24)13-10-14-16(23)12-17(22-6-8-25-9-7-22)26-18(14)15(20)11-13/h10-12H,3-9H2,1-2H3
InChIKeyZIPBZHAZNRKBKZ-UHFFFAOYSA-N
MW423.31 g/mol
LogP3.26
Rot. Bonds5

About 8-bromo-N-ethyl-2-morpholin-4-yl-4-oxo-N-propylchromene-6-carboxamide

8-bromo-N-ethyl-2-morpholin-4-yl-4-oxo-N-propylchromene-6-carboxamide (PubChem CID 123609418) has the molecular formula C19H23BrN2O4 and a molecular weight of 423.31 g/mol. Its IUPAC name is 8-bromo-N-ethyl-2-morpholin-4-yl-4-oxo-N-propylchromene-6-carboxamide.

Molecular Properties

Compound Name8-bromo-N-ethyl-2-morpholin-4-yl-4-oxo-N-propylchromene-6-carboxamide
PubChem CID123609418
Molecular FormulaC19H23BrN2O4
Molecular Weight423.31 g/mol
Exact Mass422.08
IUPAC Name8-bromo-N-ethyl-2-morpholin-4-yl-4-oxo-N-propylchromene-6-carboxamide
SMILESCCCN(CC)C(=O)c1cc(Br)c2oc(N3CCOCC3)cc(=O)c2c1
InChIInChI=1S/C19H23BrN2O4/c1-3-5-21(4-2)19(24)13-10-14-16(23)12-17(22-6-8-25-9-7-22)26-18(14)15(20)11-13/h10-12H,3-9H2,1-2H3
InChIKeyZIPBZHAZNRKBKZ-UHFFFAOYSA-N
XLogP3.26
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.31
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-ethyl-2-morpholin-4-yl-4-oxo-N-propylchromene-6-carboxamide?
The IUPAC name of 8-bromo-N-ethyl-2-morpholin-4-yl-4-oxo-N-propylchromene-6-carboxamide (CID 123609418) is 8-bromo-N-ethyl-2-morpholin-4-yl-4-oxo-N-propylchromene-6-carboxamide.
What is the SMILES notation for 8-bromo-N-ethyl-2-morpholin-4-yl-4-oxo-N-propylchromene-6-carboxamide?
The canonical SMILES for 8-bromo-N-ethyl-2-morpholin-4-yl-4-oxo-N-propylchromene-6-carboxamide is CCCN(CC)C(=O)c1cc(Br)c2oc(N3CCOCC3)cc(=O)c2c1.
What is the InChIKey of 8-bromo-N-ethyl-2-morpholin-4-yl-4-oxo-N-propylchromene-6-carboxamide?
The InChIKey is ZIPBZHAZNRKBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O4/c1-3-5-21(4-2)19(24)13-10-14-16(23)12-17(22-6-8-25-9-7-22)26-18(14)15(20)11-13/h10-12H,3-9H2,1-2H3.
What are the key properties of 8-bromo-N-ethyl-2-morpholin-4-yl-4-oxo-N-propylchromene-6-carboxamide?
8-bromo-N-ethyl-2-morpholin-4-yl-4-oxo-N-propylchromene-6-carboxamide has a molecular weight of 423.31 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-ethyl-2-morpholin-4-yl-4-oxo-N-propylchromene-6-carboxamide is sourced from PubChem (CID 123609418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).