8-bromo-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide

C16H17BrN2O4 — CID 58235090

IUPAC8-bromo-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
SMILESCN(C)C(=O)c1cc(Br)c2oc(N3CCOCC3)cc(=O)c2c1
InChIInChI=1S/C16H17BrN2O4/c1-18(2)16(21)10-7-11-13(20)9-14(19-3-5-22-6-4-19)23-15(11)12(17)8-10/h7-9H,3-6H2,1-2H3
InChIKeyZPLLSYUDFUVUJG-UHFFFAOYSA-N
MW381.23 g/mol
LogP2.09
Rot. Bonds2

About 8-bromo-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide

8-bromo-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide (PubChem CID 58235090) has the molecular formula C16H17BrN2O4 and a molecular weight of 381.23 g/mol. Its IUPAC name is 8-bromo-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide.

Molecular Properties

Compound Name8-bromo-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
PubChem CID58235090
Molecular FormulaC16H17BrN2O4
Molecular Weight381.23 g/mol
Exact Mass380.04
IUPAC Name8-bromo-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
SMILESCN(C)C(=O)c1cc(Br)c2oc(N3CCOCC3)cc(=O)c2c1
InChIInChI=1S/C16H17BrN2O4/c1-18(2)16(21)10-7-11-13(20)9-14(19-3-5-22-6-4-19)23-15(11)12(17)8-10/h7-9H,3-6H2,1-2H3
InChIKeyZPLLSYUDFUVUJG-UHFFFAOYSA-N
XLogP2.09
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The IUPAC name of 8-bromo-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide (CID 58235090) is 8-bromo-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide.
What is the SMILES notation for 8-bromo-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The canonical SMILES for 8-bromo-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide is CN(C)C(=O)c1cc(Br)c2oc(N3CCOCC3)cc(=O)c2c1.
What is the InChIKey of 8-bromo-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The InChIKey is ZPLLSYUDFUVUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O4/c1-18(2)16(21)10-7-11-13(20)9-14(19-3-5-22-6-4-19)23-15(11)12(17)8-10/h7-9H,3-6H2,1-2H3.
What are the key properties of 8-bromo-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
8-bromo-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide has a molecular weight of 381.23 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide is sourced from PubChem (CID 58235090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).