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

C21H20BrN3O3 — CID 1119291

IUPACN-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)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)
InChIKeyKZIACQRKSAILHU-UHFFFAOYSA-N
MW442.31 g/mol
LogP3.23
Rot. Bonds4

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

N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-2-morpholin-4-ylacetamide (PubChem CID 1119291) has the molecular formula C21H20BrN3O3 and a molecular weight of 442.31 g/mol. Its IUPAC name is N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-2-morpholin-4-ylacetamide
PubChem CID1119291
Molecular FormulaC21H20BrN3O3
Molecular Weight442.31 g/mol
Exact Mass441.07
IUPAC NameN-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)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)
InChIKeyKZIACQRKSAILHU-UHFFFAOYSA-N
XLogP3.23
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.31
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 742145
CID 742145
CID 1162877
CID 1162877
CID 1119287
CID 1119287
CID 2862026
CID 2862026
CID 653343
CID 653343
CID 1106516
CID 1106516
CID 1113037
CID 1113037
CID 1119292
CID 1119292
CID 1119296
CID 1119296
CID 2870331
CID 2870331
CID 2870485
CID 2870485
CID 2927331
CID 2927331

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-2-morpholin-4-ylacetamide (CID 1119291) is N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)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-ylacetamide?
The InChIKey is KZIACQRKSAILHU-UHFFFAOYSA-N. 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).
What are the key properties of N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-2-morpholin-4-ylacetamide?
N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-2-morpholin-4-ylacetamide has a molecular weight of 442.31 g/mol, XLogP of 3.23, 4 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)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 1119291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).