2-amino-N-(5-bromo-1-methyl-2-oxoquinolin-6-yl)-N-methylbenzamide

C18H16BrN3O2 — CID 135018200

IUPAC2-amino-N-(5-bromo-1-methyl-2-oxoquinolin-6-yl)-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1N)c1ccc2c(ccc(=O)n2C)c1Br
InChIInChI=1S/C18H16BrN3O2/c1-21-14-8-9-15(17(19)12(14)7-10-16(21)23)22(2)18(24)11-5-3-4-6-13(11)20/h3-10H,20H2,1-2H3
InChIKeyIALNFLJCURJEJN-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.16
Rot. Bonds2

About 2-amino-N-(5-bromo-1-methyl-2-oxoquinolin-6-yl)-N-methylbenzamide

2-amino-N-(5-bromo-1-methyl-2-oxoquinolin-6-yl)-N-methylbenzamide (PubChem CID 135018200) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-1-methyl-2-oxoquinolin-6-yl)-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-1-methyl-2-oxoquinolin-6-yl)-N-methylbenzamide
PubChem CID135018200
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC Name2-amino-N-(5-bromo-1-methyl-2-oxoquinolin-6-yl)-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1N)c1ccc2c(ccc(=O)n2C)c1Br
InChIInChI=1S/C18H16BrN3O2/c1-21-14-8-9-15(17(19)12(14)7-10-16(21)23)22(2)18(24)11-5-3-4-6-13(11)20/h3-10H,20H2,1-2H3
InChIKeyIALNFLJCURJEJN-UHFFFAOYSA-N
XLogP3.16
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-hydroxyphenyl)-N-methylbenzamide
CID 140987433
2-[(2-aminobenzoyl)-methylamino]benzoic acid
CID 12819851
2-amino-N-(2,6-dichloro-3-pyridinyl)-N-methylbenzamide
CID 118279157
2-amino-N-(2,6-difluorophenyl)-N-methylbenzamide
CID 82090708
2-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 82092607
5-bromo-1-methyl-6-nitroquinolin-2-one
CID 118918728
2-amino-N-methyl-N-propan-2-ylbenzamide
CID 16783285
2-amino-4-bromo-N-methyl-N-(2-methylphenyl)benzamide
CID 79721752
N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzamide
CID 61360177
3-amino-2-bromo-N-methyl-N-pyridin-4-ylbenzamide
CID 106934244
2-bromo-N-tert-butyl-N,1-dimethylindole-3-carboxamide
CID 101108562
3-amino-2-chloro-N-methyl-N-phenylbenzamide
CID 112574015

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-1-methyl-2-oxoquinolin-6-yl)-N-methylbenzamide?
The IUPAC name of 2-amino-N-(5-bromo-1-methyl-2-oxoquinolin-6-yl)-N-methylbenzamide (CID 135018200) is 2-amino-N-(5-bromo-1-methyl-2-oxoquinolin-6-yl)-N-methylbenzamide.
What is the SMILES notation for 2-amino-N-(5-bromo-1-methyl-2-oxoquinolin-6-yl)-N-methylbenzamide?
The canonical SMILES for 2-amino-N-(5-bromo-1-methyl-2-oxoquinolin-6-yl)-N-methylbenzamide is CN(C(=O)c1ccccc1N)c1ccc2c(ccc(=O)n2C)c1Br.
What is the InChIKey of 2-amino-N-(5-bromo-1-methyl-2-oxoquinolin-6-yl)-N-methylbenzamide?
The InChIKey is IALNFLJCURJEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-21-14-8-9-15(17(19)12(14)7-10-16(21)23)22(2)18(24)11-5-3-4-6-13(11)20/h3-10H,20H2,1-2H3.
What are the key properties of 2-amino-N-(5-bromo-1-methyl-2-oxoquinolin-6-yl)-N-methylbenzamide?
2-amino-N-(5-bromo-1-methyl-2-oxoquinolin-6-yl)-N-methylbenzamide has a molecular weight of 386.25 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-bromo-1-methyl-2-oxoquinolin-6-yl)-N-methylbenzamide is sourced from PubChem (CID 135018200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).