N-(3-chloro-2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)acetamide

C12H15ClN2O — CID 67753516

IUPACN-(3-chloro-2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)acetamide
SMILESCC(=O)Nc1c(Cl)c(C)nc2c1CCCC2
InChIInChI=1S/C12H15ClN2O/c1-7-11(13)12(15-8(2)16)9-5-3-4-6-10(9)14-7/h3-6H2,1-2H3,(H,14,15,16)
InChIKeyDBLZSPJLERYZHK-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.88
Rot. Bonds1

About N-(3-chloro-2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)acetamide

N-(3-chloro-2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)acetamide (PubChem CID 67753516) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is N-(3-chloro-2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)acetamide
PubChem CID67753516
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC NameN-(3-chloro-2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)acetamide
SMILESCC(=O)Nc1c(Cl)c(C)nc2c1CCCC2
InChIInChI=1S/C12H15ClN2O/c1-7-11(13)12(15-8(2)16)9-5-3-4-6-10(9)14-7/h3-6H2,1-2H3,(H,14,15,16)
InChIKeyDBLZSPJLERYZHK-UHFFFAOYSA-N
XLogP2.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)acetamide?
The IUPAC name of N-(3-chloro-2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)acetamide (CID 67753516) is N-(3-chloro-2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)acetamide?
The canonical SMILES for N-(3-chloro-2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)acetamide is CC(=O)Nc1c(Cl)c(C)nc2c1CCCC2.
What is the InChIKey of N-(3-chloro-2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)acetamide?
The InChIKey is DBLZSPJLERYZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-7-11(13)12(15-8(2)16)9-5-3-4-6-10(9)14-7/h3-6H2,1-2H3,(H,14,15,16).
What are the key properties of N-(3-chloro-2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)acetamide?
N-(3-chloro-2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)acetamide has a molecular weight of 238.72 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)acetamide is sourced from PubChem (CID 67753516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).