5-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide

C15H16BrN3O3 — CID 162264127

IUPAC5-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide
SMILESCc1cc(=O)[nH]c2ccc(NC(=O)C3CNC(Br)CO3)cc12
InChIInChI=1S/C15H16BrN3O3/c1-8-4-14(20)19-11-3-2-9(5-10(8)11)18-15(21)12-6-17-13(16)7-22-12/h2-5,12-13,17H,6-7H2,1H3,(H,18,21)(H,19,20)
InChIKeyZZQVTMIXHSNUGZ-UHFFFAOYSA-N
MW366.22 g/mol
LogP1.48
Rot. Bonds2

About 5-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide

5-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide (PubChem CID 162264127) has the molecular formula C15H16BrN3O3 and a molecular weight of 366.22 g/mol. Its IUPAC name is 5-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide
PubChem CID162264127
Molecular FormulaC15H16BrN3O3
Molecular Weight366.22 g/mol
Exact Mass365.04
IUPAC Name5-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide
SMILESCc1cc(=O)[nH]c2ccc(NC(=O)C3CNC(Br)CO3)cc12
InChIInChI=1S/C15H16BrN3O3/c1-8-4-14(20)19-11-3-2-9(5-10(8)11)18-15(21)12-6-17-13(16)7-22-12/h2-5,12-13,17H,6-7H2,1H3,(H,18,21)(H,19,20)
InChIKeyZZQVTMIXHSNUGZ-UHFFFAOYSA-N
XLogP1.48
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide (CID 162264127) is 5-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide is Cc1cc(=O)[nH]c2ccc(NC(=O)C3CNC(Br)CO3)cc12.
What is the InChIKey of 5-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide?
The InChIKey is ZZQVTMIXHSNUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O3/c1-8-4-14(20)19-11-3-2-9(5-10(8)11)18-15(21)12-6-17-13(16)7-22-12/h2-5,12-13,17H,6-7H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 5-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide?
5-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide has a molecular weight of 366.22 g/mol, XLogP of 1.48, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide is sourced from PubChem (CID 162264127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).