N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-morpholin-4-ylpropanamide

C22H22BrN3O3 — CID 1119292

IUPACN-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)Nc1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O
InChIInChI=1S/C22H22BrN3O3/c23-16-6-7-18-17(14-16)20(15-4-2-1-3-5-15)21(22(28)24-18)25-19(27)8-9-26-10-12-29-13-11-26/h1-7,14H,8-13H2,(H,24,28)(H,25,27)
InChIKeyYTHFFUVZEDOCFC-UHFFFAOYSA-N
MW456.34 g/mol
LogP3.62
Rot. Bonds5

About N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-morpholin-4-ylpropanamide

N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-morpholin-4-ylpropanamide (PubChem CID 1119292) has the molecular formula C22H22BrN3O3 and a molecular weight of 456.34 g/mol. Its IUPAC name is N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-morpholin-4-ylpropanamide
PubChem CID1119292
Molecular FormulaC22H22BrN3O3
Molecular Weight456.34 g/mol
Exact Mass455.08
IUPAC NameN-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)Nc1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O
InChIInChI=1S/C22H22BrN3O3/c23-16-6-7-18-17(14-16)20(15-4-2-1-3-5-15)21(22(28)24-18)25-19(27)8-9-26-10-12-29-13-11-26/h1-7,14H,8-13H2,(H,24,28)(H,25,27)
InChIKeyYTHFFUVZEDOCFC-UHFFFAOYSA-N
XLogP3.62
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.34
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-morpholin-4-ylpropanamide?
The IUPAC name of N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-morpholin-4-ylpropanamide (CID 1119292) is N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-morpholin-4-ylpropanamide is O=C(CCN1CCOCC1)Nc1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O.
What is the InChIKey of N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-morpholin-4-ylpropanamide?
The InChIKey is YTHFFUVZEDOCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrN3O3/c23-16-6-7-18-17(14-16)20(15-4-2-1-3-5-15)21(22(28)24-18)25-19(27)8-9-26-10-12-29-13-11-26/h1-7,14H,8-13H2,(H,24,28)(H,25,27).
What are the key properties of N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-morpholin-4-ylpropanamide?
N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-morpholin-4-ylpropanamide has a molecular weight of 456.34 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 1119292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).