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

C21H21BrN3O3+ — CID 4754194

IUPACN-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-2-morpholin-4-ium-4-ylacetamide
SMILESO=C(C[NH+]1CCOCC1)Nc1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O
InChIInChI=1S/C21H20BrN3O3/c22-15-6-7-17-16(12-15)19(14-4-2-1-3-5-14)20(21(27)23-17)24-18(26)13-25-8-10-28-11-9-25/h1-7,12H,8-11,13H2,(H,23,27)(H,24,26)/p+1
InChIKeyKZIACQRKSAILHU-UHFFFAOYSA-O
MW443.32 g/mol
LogP1.81
Rot. Bonds4

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

N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-2-morpholin-4-ium-4-ylacetamide (PubChem CID 4754194) has the molecular formula C21H21BrN3O3+ and a molecular weight of 443.32 g/mol. Its IUPAC name is N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-2-morpholin-4-ium-4-ylacetamide.

Molecular Properties

Compound NameN-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-2-morpholin-4-ium-4-ylacetamide
PubChem CID4754194
Molecular FormulaC21H21BrN3O3+
Molecular Weight443.32 g/mol
Exact Mass442.08
IUPAC NameN-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-2-morpholin-4-ium-4-ylacetamide
SMILESO=C(C[NH+]1CCOCC1)Nc1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O
InChIInChI=1S/C21H20BrN3O3/c22-15-6-7-17-16(12-15)19(14-4-2-1-3-5-14)20(21(27)23-17)24-18(26)13-25-8-10-28-11-9-25/h1-7,12H,8-11,13H2,(H,23,27)(H,24,26)/p+1
InChIKeyKZIACQRKSAILHU-UHFFFAOYSA-O
XLogP1.81
TPSA75.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.32
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-3-morpholin-4-yl-4-phenyl-1H-quinolin-2-one
CID 742145
6-bromo-3-(morpholinomethyl)-4-phenylquinolin-2(1H)-one
CID 1162877
N-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)acetamide
CID 1119287
Ethyl 2-(6-bromo-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetate
CID 2862026
N-Biphenyl-2-yl-2-morpholin-4-yl-acetamide
CID 653343
N-(2-Benzoyl-4-bromo-phenyl)-2-morpholin-4-yl-acetamide
CID 1106516
N-(2-benzoyl-4-bromophenyl)-3-morpholin-4-ylpropanamide
CID 1113037
N-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-2-morpholinoacetamide
CID 1119291
N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-morpholin-4-ylpropanamide
CID 1119292
6-bromo-3-(4-morpholinyl)-4-phenyl-1H-quinolin-2-one
CID 1119296
N-[4-bromo-2-[[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]-3-(4-morpholinyl)propanamide
CID 2870331
Ethyl 2-[[[5-bromo-2-(3-morpholin-4-ylpropanoylamino)phenyl]-phenylmethyl]amino]acetate
CID 2870485

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-2-morpholin-4-ium-4-ylacetamide?
The IUPAC name of N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-2-morpholin-4-ium-4-ylacetamide (CID 4754194) is N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-2-morpholin-4-ium-4-ylacetamide.
What is the SMILES notation for N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-2-morpholin-4-ium-4-ylacetamide?
The canonical SMILES for N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-2-morpholin-4-ium-4-ylacetamide is O=C(C[NH+]1CCOCC1)Nc1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O.
What is the InChIKey of N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-2-morpholin-4-ium-4-ylacetamide?
The InChIKey is KZIACQRKSAILHU-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H20BrN3O3/c22-15-6-7-17-16(12-15)19(14-4-2-1-3-5-14)20(21(27)23-17)24-18(26)13-25-8-10-28-11-9-25/h1-7,12H,8-11,13H2,(H,23,27)(H,24,26)/p+1.
What are the key properties of N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-2-morpholin-4-ium-4-ylacetamide?
N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-2-morpholin-4-ium-4-ylacetamide has a molecular weight of 443.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-2-morpholin-4-ium-4-ylacetamide is sourced from PubChem (CID 4754194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).