N-(3-amino-2,2-dimethylpropyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide

C16H20BrN3O2 — CID 119654892

IUPACN-(3-amino-2,2-dimethylpropyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1cc(=O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C16H20BrN3O2/c1-16(2,8-18)9-20(3)15(22)12-7-14(21)19-13-5-4-10(17)6-11(12)13/h4-7H,8-9,18H2,1-3H3,(H,19,21)
InChIKeyJAMAFGCFSCQBTF-UHFFFAOYSA-N
MW366.26 g/mol
LogP2.35
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide

N-(3-amino-2,2-dimethylpropyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 119654892) has the molecular formula C16H20BrN3O2 and a molecular weight of 366.26 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide
PubChem CID119654892
Molecular FormulaC16H20BrN3O2
Molecular Weight366.26 g/mol
Exact Mass365.07
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1cc(=O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C16H20BrN3O2/c1-16(2,8-18)9-20(3)15(22)12-7-14(21)19-13-5-4-10(17)6-11(12)13/h4-7H,8-9,18H2,1-3H3,(H,19,21)
InChIKeyJAMAFGCFSCQBTF-UHFFFAOYSA-N
XLogP2.35
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119654838
N-(3-amino-4-methylpentyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119659480
6-bromo-N-[(2R)-1-cyanopropan-2-yl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 95981052
6-bromo-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 120828627
N-(3-amino-2,2-dimethylpropyl)-2-bromo-5-chloro-N-methylbenzamide;hydrochloride
CID 119656122
N-(3-amino-2,2-dimethylpropyl)-3-bromo-N,2-dimethylbenzamide
CID 79652685
N-(3-amino-2,2-dimethylpropyl)-N,2,5-trimethylbenzamide
CID 79652780
2-(6-bromo-2-oxo-1H-quinolin-4-yl)acetic acid
CID 83665751
N-(3-amino-2,2-dimethylpropyl)-2-(3-bromophenyl)-N-methylacetamide
CID 79652403
N-(3-amino-2,2-dimethylpropyl)-1-(4-bromophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 119654418
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide
CID 79652872
N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 79652401

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide (CID 119654892) is N-(3-amino-2,2-dimethylpropyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide is CN(CC(C)(C)CN)C(=O)c1cc(=O)[nH]c2ccc(Br)cc12.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is JAMAFGCFSCQBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O2/c1-16(2,8-18)9-20(3)15(22)12-7-14(21)19-13-5-4-10(17)6-11(12)13/h4-7H,8-9,18H2,1-3H3,(H,19,21).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 366.26 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-6-bromo-N-methyl-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 119654892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).