N-[2-(2-bromo-3,4-dimethyl-1,4-dihydroquinolin-6-yl)ethyl]acetamide

C15H19BrN2O — CID 144853785

IUPACN-[2-(2-bromo-3,4-dimethyl-1,4-dihydroquinolin-6-yl)ethyl]acetamide
SMILESCC(=O)NCCc1ccc2c(c1)C(C)C(C)=C(Br)N2
InChIInChI=1S/C15H19BrN2O/c1-9-10(2)15(16)18-14-5-4-12(8-13(9)14)6-7-17-11(3)19/h4-5,8-9,18H,6-7H2,1-3H3,(H,17,19)
InChIKeyXGDMFHRMIDYFRT-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.52
Rot. Bonds3

About N-[2-(2-bromo-3,4-dimethyl-1,4-dihydroquinolin-6-yl)ethyl]acetamide

N-[2-(2-bromo-3,4-dimethyl-1,4-dihydroquinolin-6-yl)ethyl]acetamide (PubChem CID 144853785) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is N-[2-(2-bromo-3,4-dimethyl-1,4-dihydroquinolin-6-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-bromo-3,4-dimethyl-1,4-dihydroquinolin-6-yl)ethyl]acetamide
PubChem CID144853785
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC NameN-[2-(2-bromo-3,4-dimethyl-1,4-dihydroquinolin-6-yl)ethyl]acetamide
SMILESCC(=O)NCCc1ccc2c(c1)C(C)C(C)=C(Br)N2
InChIInChI=1S/C15H19BrN2O/c1-9-10(2)15(16)18-14-5-4-12(8-13(9)14)6-7-17-11(3)19/h4-5,8-9,18H,6-7H2,1-3H3,(H,17,19)
InChIKeyXGDMFHRMIDYFRT-UHFFFAOYSA-N
XLogP3.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-bromo-3,4-dimethyl-1,4-dihydroquinolin-6-yl)ethyl]acetamide;6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 144853784
N-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 110790024
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
N-[2-(3-chloro-4-methylphenyl)ethyl]acetamide
CID 177417745
N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 67025739
N-[2-(4-ethoxy-3-methylphenyl)ethyl]acetamide
CID 110788838
N'-(2-acetamidoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 108506297
[3-(2-acetamidoethyl)phenyl]carbamic acid
CID 69174088
ethane;N-[2-(4-methylphenyl)ethyl]acetamide;molecular hydrogen
CID 142068448
N-[2-(4-amino-3-chlorophenyl)ethyl]acetamide
CID 154361232
N-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]acetamide
CID 110788935
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157430

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-3,4-dimethyl-1,4-dihydroquinolin-6-yl)ethyl]acetamide?
The IUPAC name of N-[2-(2-bromo-3,4-dimethyl-1,4-dihydroquinolin-6-yl)ethyl]acetamide (CID 144853785) is N-[2-(2-bromo-3,4-dimethyl-1,4-dihydroquinolin-6-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-bromo-3,4-dimethyl-1,4-dihydroquinolin-6-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-bromo-3,4-dimethyl-1,4-dihydroquinolin-6-yl)ethyl]acetamide is CC(=O)NCCc1ccc2c(c1)C(C)C(C)=C(Br)N2.
What is the InChIKey of N-[2-(2-bromo-3,4-dimethyl-1,4-dihydroquinolin-6-yl)ethyl]acetamide?
The InChIKey is XGDMFHRMIDYFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-9-10(2)15(16)18-14-5-4-12(8-13(9)14)6-7-17-11(3)19/h4-5,8-9,18H,6-7H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(2-bromo-3,4-dimethyl-1,4-dihydroquinolin-6-yl)ethyl]acetamide?
N-[2-(2-bromo-3,4-dimethyl-1,4-dihydroquinolin-6-yl)ethyl]acetamide has a molecular weight of 323.23 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-3,4-dimethyl-1,4-dihydroquinolin-6-yl)ethyl]acetamide is sourced from PubChem (CID 144853785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).