N-(6-bromo-3-methylquinolin-4-yl)-N-(oxan-4-yl)acetamide;ethane

C19H25BrN2O2 — CID 144956361

IUPACN-(6-bromo-3-methylquinolin-4-yl)-N-(oxan-4-yl)acetamide;ethane
SMILESCC.CC(=O)N(c1c(C)cnc2ccc(Br)cc12)C1CCOCC1
InChIInChI=1S/C17H19BrN2O2.C2H6/c1-11-10-19-16-4-3-13(18)9-15(16)17(11)20(12(2)21)14-5-7-22-8-6-14;1-2/h3-4,9-10,14H,5-8H2,1-2H3;1-2H3
InChIKeyNUGPQAVRXLTFKT-UHFFFAOYSA-N
MW393.33 g/mol
LogP4.86
Rot. Bonds2

About N-(6-bromo-3-methylquinolin-4-yl)-N-(oxan-4-yl)acetamide;ethane

N-(6-bromo-3-methylquinolin-4-yl)-N-(oxan-4-yl)acetamide;ethane (PubChem CID 144956361) has the molecular formula C19H25BrN2O2 and a molecular weight of 393.33 g/mol. Its IUPAC name is N-(6-bromo-3-methylquinolin-4-yl)-N-(oxan-4-yl)acetamide;ethane.

Molecular Properties

Compound NameN-(6-bromo-3-methylquinolin-4-yl)-N-(oxan-4-yl)acetamide;ethane
PubChem CID144956361
Molecular FormulaC19H25BrN2O2
Molecular Weight393.33 g/mol
Exact Mass392.11
IUPAC NameN-(6-bromo-3-methylquinolin-4-yl)-N-(oxan-4-yl)acetamide;ethane
SMILESCC.CC(=O)N(c1c(C)cnc2ccc(Br)cc12)C1CCOCC1
InChIInChI=1S/C17H19BrN2O2.C2H6/c1-11-10-19-16-4-3-13(18)9-15(16)17(11)20(12(2)21)14-5-7-22-8-6-14;1-2/h3-4,9-10,14H,5-8H2,1-2H3;1-2H3
InChIKeyNUGPQAVRXLTFKT-UHFFFAOYSA-N
XLogP4.86
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.33
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N-[6-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-3-methylquinolin-4-yl]acetamide
CID 145305825
N-(6-bromo-4-methylquinolin-3-yl)-N-methylacetamide;methylcyclobutane
CID 144956349
N-(4-methoxycyclohexyl)-N-[3-methyl-6-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinolin-4-yl]acetamide
CID 145305806
6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)-3-nitrosoquinolin-4-amine
CID 135170022
8-bromo-3-methyl-3-(oxan-4-yl)-1H-imidazo[4,5-c]quinolin-3-ium-2-one
CID 118523350
6-bromo-4-N-cyclopentyl-4-N-methylquinoline-3,4-diamine
CID 43621293
ethane;N-(3-methoxycyclohexyl)-N-[3-methyl-6-(6-methyl-3-pyridinyl)quinolin-4-yl]acetamide;4-propan-2-ylheptane
CID 145305826
4-amino-6-bromoquinoline-3-carboxylic acid;oxolane
CID 144956377
1-[4-bromo-2-[methyl(oxan-4-yl)amino]phenyl]ethanone
CID 82967435
6-bromo-4-N-methyl-4-N-(oxan-2-ylmethyl)quinoline-3,4-diamine
CID 61431679
N-[(7-bromoquinoxalin-2-yl)methyl]oxane-4-carboxamide
CID 156694037
6-bromo-4-N-(cyclobutylmethyl)-4-N-methylquinoline-3,4-diamine
CID 55125947

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-methylquinolin-4-yl)-N-(oxan-4-yl)acetamide;ethane?
The IUPAC name of N-(6-bromo-3-methylquinolin-4-yl)-N-(oxan-4-yl)acetamide;ethane (CID 144956361) is N-(6-bromo-3-methylquinolin-4-yl)-N-(oxan-4-yl)acetamide;ethane.
What is the SMILES notation for N-(6-bromo-3-methylquinolin-4-yl)-N-(oxan-4-yl)acetamide;ethane?
The canonical SMILES for N-(6-bromo-3-methylquinolin-4-yl)-N-(oxan-4-yl)acetamide;ethane is CC.CC(=O)N(c1c(C)cnc2ccc(Br)cc12)C1CCOCC1.
What is the InChIKey of N-(6-bromo-3-methylquinolin-4-yl)-N-(oxan-4-yl)acetamide;ethane?
The InChIKey is NUGPQAVRXLTFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2.C2H6/c1-11-10-19-16-4-3-13(18)9-15(16)17(11)20(12(2)21)14-5-7-22-8-6-14;1-2/h3-4,9-10,14H,5-8H2,1-2H3;1-2H3.
What are the key properties of N-(6-bromo-3-methylquinolin-4-yl)-N-(oxan-4-yl)acetamide;ethane?
N-(6-bromo-3-methylquinolin-4-yl)-N-(oxan-4-yl)acetamide;ethane has a molecular weight of 393.33 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-methylquinolin-4-yl)-N-(oxan-4-yl)acetamide;ethane is sourced from PubChem (CID 144956361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).