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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Related Compounds

8-[3-(4-fluoro-4H-pyridin-1-yl)butan-2-yl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
CID 172636505
8-acetyl-N,N-dimethyl-2-morpholino-4-oxo-4H-chromene-6-carboxamide
CID 58235034
8-bromo-N,N-dimethyl-2-morpholino-4-oxo-4H-chromene-6-carboxamide
CID 58235090
2-[(2S)-2-(fluoromethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-carboxamide
CID 175994062
8-[(1S)-1-hydroxyethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
CID 124565057
8-[1-(5-hydroxypentoxy)ethenyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
CID 162410959
8-(1-hydroxyethyl)-N,N-dimethyl-2-((R)-2-methylmorpholino)-4-oxo-4H-chromene-6-carboxamide
CID 58234973
8-(1-aminoethyl)-N,N-dimethyl-2-morpholino-4-oxo-4H-chromene-6-carboxamide
CID 58234976
8-acetyl-N-(2-(dimethylamino)ethyl)-2-morpholino-4-oxo-4H-chromene-6-carboxamide
CID 58234979
3-bromo-4-hydroxy-N,N-dimethyl-5-(3-morpholin-4-yl-3-oxopropanoyl)benzamide
CID 58234985
8-(1-bromoethyl)-N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide
CID 58234986
8-(1-bromoethyl)-N,N-dimethyl-2-morpholino-4-oxo-4H-chromene-6-carboxamide
CID 58234987

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).