2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(3,5-dimethoxyphenyl)acetamide

C19H19BrN2O4 — CID 22576588

IUPAC2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN2C(=O)CCc3cc(Br)ccc32)cc(OC)c1
InChIInChI=1S/C19H19BrN2O4/c1-25-15-8-14(9-16(10-15)26-2)21-18(23)11-22-17-5-4-13(20)7-12(17)3-6-19(22)24/h4-5,7-10H,3,6,11H2,1-2H3,(H,21,23)
InChIKeyXTLQCBBWNCXPIC-UHFFFAOYSA-N
MW419.28 g/mol
LogP3.38
Rot. Bonds5

About 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(3,5-dimethoxyphenyl)acetamide

2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(3,5-dimethoxyphenyl)acetamide (PubChem CID 22576588) has the molecular formula C19H19BrN2O4 and a molecular weight of 419.28 g/mol. Its IUPAC name is 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(3,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(3,5-dimethoxyphenyl)acetamide
PubChem CID22576588
Molecular FormulaC19H19BrN2O4
Molecular Weight419.28 g/mol
Exact Mass418.05
IUPAC Name2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN2C(=O)CCc3cc(Br)ccc32)cc(OC)c1
InChIInChI=1S/C19H19BrN2O4/c1-25-15-8-14(9-16(10-15)26-2)21-18(23)11-22-17-5-4-13(20)7-12(17)3-6-19(22)24/h4-5,7-10H,3,6,11H2,1-2H3,(H,21,23)
InChIKeyXTLQCBBWNCXPIC-UHFFFAOYSA-N
XLogP3.38
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(3,5-dimethoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 22576597
2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide
CID 22576647
2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 22576576
3,5-dimethoxy-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
CID 16927187
N-(3,5-dimethoxyphenyl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide
CID 4805818
N-(3,5-dimethoxyphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2109103
N-(3,5-dimethoxyphenyl)-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide
CID 53057438
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 2708454
2-(7-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetic acid
CID 165350864
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(3-fluoro-4-methoxyphenyl)acetamide
CID 55796595
2-(7-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methoxyphenyl)acetamide
CID 51046883
4-[(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide
CID 164609818

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(3,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(3,5-dimethoxyphenyl)acetamide (CID 22576588) is 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(3,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(3,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(3,5-dimethoxyphenyl)acetamide is COc1cc(NC(=O)CN2C(=O)CCc3cc(Br)ccc32)cc(OC)c1.
What is the InChIKey of 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(3,5-dimethoxyphenyl)acetamide?
The InChIKey is XTLQCBBWNCXPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O4/c1-25-15-8-14(9-16(10-15)26-2)21-18(23)11-22-17-5-4-13(20)7-12(17)3-6-19(22)24/h4-5,7-10H,3,6,11H2,1-2H3,(H,21,23).
What are the key properties of 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(3,5-dimethoxyphenyl)acetamide?
2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(3,5-dimethoxyphenyl)acetamide has a molecular weight of 419.28 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(3,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 22576588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).