2-bromo-N-(6-chloro-8-methylquinolin-5-yl)butanamide

C14H14BrClN2O — CID 55126113

IUPAC2-bromo-N-(6-chloro-8-methylquinolin-5-yl)butanamide
SMILESCCC(Br)C(=O)Nc1c(Cl)cc(C)c2ncccc12
InChIInChI=1S/C14H14BrClN2O/c1-3-10(15)14(19)18-13-9-5-4-6-17-12(9)8(2)7-11(13)16/h4-7,10H,3H2,1-2H3,(H,18,19)
InChIKeyORDVOXZAQVHCAM-UHFFFAOYSA-N
MW341.64 g/mol
LogP4.31
Rot. Bonds3

About 2-bromo-N-(6-chloro-8-methylquinolin-5-yl)butanamide

2-bromo-N-(6-chloro-8-methylquinolin-5-yl)butanamide (PubChem CID 55126113) has the molecular formula C14H14BrClN2O and a molecular weight of 341.64 g/mol. Its IUPAC name is 2-bromo-N-(6-chloro-8-methylquinolin-5-yl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(6-chloro-8-methylquinolin-5-yl)butanamide
PubChem CID55126113
Molecular FormulaC14H14BrClN2O
Molecular Weight341.64 g/mol
Exact Mass340.00
IUPAC Name2-bromo-N-(6-chloro-8-methylquinolin-5-yl)butanamide
SMILESCCC(Br)C(=O)Nc1c(Cl)cc(C)c2ncccc12
InChIInChI=1S/C14H14BrClN2O/c1-3-10(15)14(19)18-13-9-5-4-6-17-12(9)8(2)7-11(13)16/h4-7,10H,3H2,1-2H3,(H,18,19)
InChIKeyORDVOXZAQVHCAM-UHFFFAOYSA-N
XLogP4.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.64
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)butanamide
CID 79024943
(2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)-4-methylpentanamide
CID 61155650
4-amino-N-(6-chloro-8-methylquinolin-5-yl)-2-methylbutanamide
CID 80543358
N-(6-chloro-8-methylquinolin-5-yl)-2-ethoxyacetamide
CID 60779334
2-[2-[(6-chloro-8-methylquinolin-5-yl)amino]-2-oxoethoxy]acetic acid
CID 61329018
N-(6-chloro-8-methylquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide
CID 103737695
N-(6-chloro-8-methylquinolin-5-yl)-1,3-thiazole-4-carboxamide
CID 63047841
6-chloro-8-methyl-N-[(2-methylphenyl)methyl]quinolin-5-amine
CID 43674610
6-chloro-8-methyl-N-(2-methylpentyl)quinolin-5-amine
CID 43674590
6-chloro-N-hexan-2-yl-8-methylquinolin-5-amine
CID 43779304
N-(6-chloro-8-methylquinolin-5-yl)-2-methylpyrrolidine-3-carboxamide
CID 79378143
6-chloro-N-(3,3-dimethylbutyl)-8-methylquinolin-5-amine
CID 63427847

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(6-chloro-8-methylquinolin-5-yl)butanamide?
The IUPAC name of 2-bromo-N-(6-chloro-8-methylquinolin-5-yl)butanamide (CID 55126113) is 2-bromo-N-(6-chloro-8-methylquinolin-5-yl)butanamide.
What is the SMILES notation for 2-bromo-N-(6-chloro-8-methylquinolin-5-yl)butanamide?
The canonical SMILES for 2-bromo-N-(6-chloro-8-methylquinolin-5-yl)butanamide is CCC(Br)C(=O)Nc1c(Cl)cc(C)c2ncccc12.
What is the InChIKey of 2-bromo-N-(6-chloro-8-methylquinolin-5-yl)butanamide?
The InChIKey is ORDVOXZAQVHCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O/c1-3-10(15)14(19)18-13-9-5-4-6-17-12(9)8(2)7-11(13)16/h4-7,10H,3H2,1-2H3,(H,18,19).
What are the key properties of 2-bromo-N-(6-chloro-8-methylquinolin-5-yl)butanamide?
2-bromo-N-(6-chloro-8-methylquinolin-5-yl)butanamide has a molecular weight of 341.64 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(6-chloro-8-methylquinolin-5-yl)butanamide is sourced from PubChem (CID 55126113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).