2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide

C20H22BrN3O2 — CID 22576647

IUPAC2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)CCc3cc(Br)ccc32)cc1N(C)C
InChIInChI=1S/C20H22BrN3O2/c1-13-4-7-16(11-18(13)23(2)3)22-19(25)12-24-17-8-6-15(21)10-14(17)5-9-20(24)26/h4,6-8,10-11H,5,9,12H2,1-3H3,(H,22,25)
InChIKeyGQFLHRBMHABZTD-UHFFFAOYSA-N
MW416.32 g/mol
LogP3.74
Rot. Bonds4

About 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide

2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide (PubChem CID 22576647) has the molecular formula C20H22BrN3O2 and a molecular weight of 416.32 g/mol. Its IUPAC name is 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide
PubChem CID22576647
Molecular FormulaC20H22BrN3O2
Molecular Weight416.32 g/mol
Exact Mass415.09
IUPAC Name2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)CCc3cc(Br)ccc32)cc1N(C)C
InChIInChI=1S/C20H22BrN3O2/c1-13-4-7-16(11-18(13)23(2)3)22-19(25)12-24-17-8-6-15(21)10-14(17)5-9-20(24)26/h4,6-8,10-11H,5,9,12H2,1-3H3,(H,22,25)
InChIKeyGQFLHRBMHABZTD-UHFFFAOYSA-N
XLogP3.74
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 22576588
2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 22576576
2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 22576597
2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 66761528
N-(3,4-dimethylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
CID 50794821
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide
CID 16926947
N-(3-chloro-4-methylphenyl)-2-(2-oxo-7-pyrrolidin-1-ylsulfonyl-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 53122344
2-[7-(azepan-1-ylsulfonyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 53122542
2-(5-bromo-2-oxo-3H-indol-1-yl)-N-butylacetamide
CID 95922016
2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide
CID 115377407
N-(3-methylsulfanylphenyl)-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 22548644
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(3-fluoro-4-methoxyphenyl)acetamide
CID 55796595

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide?
The IUPAC name of 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide (CID 22576647) is 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide.
What is the SMILES notation for 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide?
The canonical SMILES for 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide is Cc1ccc(NC(=O)CN2C(=O)CCc3cc(Br)ccc32)cc1N(C)C.
What is the InChIKey of 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide?
The InChIKey is GQFLHRBMHABZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O2/c1-13-4-7-16(11-18(13)23(2)3)22-19(25)12-24-17-8-6-15(21)10-14(17)5-9-20(24)26/h4,6-8,10-11H,5,9,12H2,1-3H3,(H,22,25).
What are the key properties of 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide?
2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide has a molecular weight of 416.32 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide is sourced from PubChem (CID 22576647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).