N-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-4-carboxamide

C20H18BrN3O3 — CID 55363784

IUPACN-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(Nc1cc(Br)ccc1N1CCOCC1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C20H18BrN3O3/c21-13-5-6-18(24-7-9-27-10-8-24)17(11-13)23-20(26)15-12-19(25)22-16-4-2-1-3-14(15)16/h1-6,11-12H,7-10H2,(H,22,25)(H,23,26)
InChIKeyLDRUETLTLXVNAO-UHFFFAOYSA-N
MW428.29 g/mol
LogP3.38
Rot. Bonds3

About N-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-4-carboxamide

N-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 55363784) has the molecular formula C20H18BrN3O3 and a molecular weight of 428.29 g/mol. Its IUPAC name is N-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-4-carboxamide
PubChem CID55363784
Molecular FormulaC20H18BrN3O3
Molecular Weight428.29 g/mol
Exact Mass427.05
IUPAC NameN-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(Nc1cc(Br)ccc1N1CCOCC1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C20H18BrN3O3/c21-13-5-6-18(24-7-9-27-10-8-24)17(11-13)23-20(26)15-12-19(25)22-16-4-2-1-3-14(15)16/h1-6,11-12H,7-10H2,(H,22,25)(H,23,26)
InChIKeyLDRUETLTLXVNAO-UHFFFAOYSA-N
XLogP3.38
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.29
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 4869878
N-(5-bromo-2-morpholin-4-ylphenyl)-2,4-difluorobenzamide
CID 51182017
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 55329582
6-morpholin-4-ylsulfonyl-2-oxo-N-(2-piperidin-1-ylphenyl)-1H-quinoline-4-carboxamide
CID 55329648
N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide
CID 55363665
N-(5-bromo-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzamide
CID 55394956
N-(5-bromo-2-morpholin-4-ylphenyl)-3-cyanobenzamide
CID 46813523
N-(2-morpholin-4-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
CID 110701288
5-acetamido-N-(5-bromo-2-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 60566996
2-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 4020087
N-(2-bromo-4-methylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 7545590
N-(4-bromo-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide
CID 102674190

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-4-carboxamide (CID 55363784) is N-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-4-carboxamide is O=C(Nc1cc(Br)ccc1N1CCOCC1)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is LDRUETLTLXVNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O3/c21-13-5-6-18(24-7-9-27-10-8-24)17(11-13)23-20(26)15-12-19(25)22-16-4-2-1-3-14(15)16/h1-6,11-12H,7-10H2,(H,22,25)(H,23,26).
What are the key properties of N-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-4-carboxamide?
N-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 428.29 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 55363784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).