N-(5-bromo-2-methoxy-4-methylphenyl)-4-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide

C21H21BrN2O4 — CID 138043571

IUPACN-(5-bromo-2-methoxy-4-methylphenyl)-4-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
SMILESCOc1cc(C)c(Br)cc1NC(=O)CCC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C21H21BrN2O4/c1-12-9-19(28-2)17(11-15(12)22)24-21(27)8-6-18(25)14-3-5-16-13(10-14)4-7-20(26)23-16/h3,5,9-11H,4,6-8H2,1-2H3,(H,23,26)(H,24,27)
InChIKeySLXINUFALDSTMI-UHFFFAOYSA-N
MW445.31 g/mol
LogP4.25
Rot. Bonds6

About N-(5-bromo-2-methoxy-4-methylphenyl)-4-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide

N-(5-bromo-2-methoxy-4-methylphenyl)-4-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide (PubChem CID 138043571) has the molecular formula C21H21BrN2O4 and a molecular weight of 445.31 g/mol. Its IUPAC name is N-(5-bromo-2-methoxy-4-methylphenyl)-4-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxy-4-methylphenyl)-4-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
PubChem CID138043571
Molecular FormulaC21H21BrN2O4
Molecular Weight445.31 g/mol
Exact Mass444.07
IUPAC NameN-(5-bromo-2-methoxy-4-methylphenyl)-4-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
SMILESCOc1cc(C)c(Br)cc1NC(=O)CCC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C21H21BrN2O4/c1-12-9-19(28-2)17(11-15(12)22)24-21(27)8-6-18(25)14-3-5-16-13(10-14)4-7-20(26)23-16/h3,5,9-11H,4,6-8H2,1-2H3,(H,23,26)(H,24,27)
InChIKeySLXINUFALDSTMI-UHFFFAOYSA-N
XLogP4.25
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.31
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-bromo-2-methoxy-4-methylphenyl)-4-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide with MolForge

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Related Compounds

N-(2-methylphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344864
N-(4-chloro-2,5-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 24531669
N-(3,5-dimethylphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344873
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
N-(2-methoxy-5-methylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9215408
N-[(2-methoxyphenyl)methyl]-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344820
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-ethoxy-4-methoxybenzoate
CID 9484719
N-(5-bromo-2-methoxy-4-methylphenyl)-2-(dimethylamino)acetamide
CID 99826578
3,4-dimethoxy-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571300
N-(6-methoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-(2-methylphenyl)benzamide
CID 154850511
N-cyclopentyl-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344793
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3,4-dimethoxybenzoate
CID 51329778

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxy-4-methylphenyl)-4-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide?
The IUPAC name of N-(5-bromo-2-methoxy-4-methylphenyl)-4-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide (CID 138043571) is N-(5-bromo-2-methoxy-4-methylphenyl)-4-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide.
What is the SMILES notation for N-(5-bromo-2-methoxy-4-methylphenyl)-4-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide?
The canonical SMILES for N-(5-bromo-2-methoxy-4-methylphenyl)-4-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide is COc1cc(C)c(Br)cc1NC(=O)CCC(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of N-(5-bromo-2-methoxy-4-methylphenyl)-4-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide?
The InChIKey is SLXINUFALDSTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O4/c1-12-9-19(28-2)17(11-15(12)22)24-21(27)8-6-18(25)14-3-5-16-13(10-14)4-7-20(26)23-16/h3,5,9-11H,4,6-8H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-(5-bromo-2-methoxy-4-methylphenyl)-4-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide?
N-(5-bromo-2-methoxy-4-methylphenyl)-4-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide has a molecular weight of 445.31 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxy-4-methylphenyl)-4-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide is sourced from PubChem (CID 138043571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).