N-(1-methylquinolin-1-ium-6-yl)acetamide

C12H13N2O+ — CID 66522945

IUPACN-(1-methylquinolin-1-ium-6-yl)acetamide
SMILESCC(=O)Nc1ccc2c(ccc[n+]2C)c1
InChIInChI=1S/C12H12N2O/c1-9(15)13-11-5-6-12-10(8-11)4-3-7-14(12)2/h3-8H,1-2H3/p+1
InChIKeyNGAPLNRRUMBXRW-UHFFFAOYSA-O
MW201.25 g/mol
LogP1.62
Rot. Bonds1

About N-(1-methylquinolin-1-ium-6-yl)acetamide

N-(1-methylquinolin-1-ium-6-yl)acetamide (PubChem CID 66522945) has the molecular formula C12H13N2O+ and a molecular weight of 201.25 g/mol. Its IUPAC name is N-(1-methylquinolin-1-ium-6-yl)acetamide.

Molecular Properties

Compound NameN-(1-methylquinolin-1-ium-6-yl)acetamide
PubChem CID66522945
Molecular FormulaC12H13N2O+
Molecular Weight201.25 g/mol
Exact Mass201.10
IUPAC NameN-(1-methylquinolin-1-ium-6-yl)acetamide
SMILESCC(=O)Nc1ccc2c(ccc[n+]2C)c1
InChIInChI=1S/C12H12N2O/c1-9(15)13-11-5-6-12-10(8-11)4-3-7-14(12)2/h3-8H,1-2H3/p+1
InChIKeyNGAPLNRRUMBXRW-UHFFFAOYSA-O
XLogP1.62
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-methylquinolin-1-ium-6-yl)-4-[3-[(1-methylquinolin-1-ium-6-yl)amino]-3-oxoprop-1-en-2-yl]benzamide
CID 20839923
bis(4-methylbenzenesulfonate);N-(1-methylquinolin-1-ium-6-yl)-2-[4-[2-[(1-methylquinolin-1-ium-6-yl)amino]-2-oxoethyl]phenyl]acetamide
CID 3052421
1-methylquinolin-1-ium acetate
CID 22998708
4,7-bis(butylamino)-2-N,9-N-bis(1-methylquinolin-1-ium-6-yl)-1,10-phenanthroline-2,9-dicarboxamide
CID 142473283
bis((E)-3-(1-methylquinolin-1-ium-6-yl)-1-phenylprop-2-en-1-one);sulfate
CID 175956605
[4-[[5-bromo-9-[(1-methylquinolin-1-ium-6-yl)carbamoyl]-1,10-phenanthroline-2-carbonyl]amino]-2-ethenylphenyl]-methyl-methylideneazanium
CID 142473301
N-(5-nitronaphthalen-2-yl)acetamide
CID 825939
N-[6-(hydroxymethyl)naphthalen-2-yl]acetamide
CID 71416086
N-(4-acetyl-3-methylphenyl)acetamide
CID 2737381
N-(3-fluoro-4-iodophenyl)acetamide
CID 22991944
N-naphthalen-2-ylcarbamoyl bromide
CID 115193346
3-(6-acetamido-2-methylquinolin-1-ium-1-yl)propane-1-sulfonic acid
CID 4235065

Frequently Asked Questions

What is the IUPAC name of N-(1-methylquinolin-1-ium-6-yl)acetamide?
The IUPAC name of N-(1-methylquinolin-1-ium-6-yl)acetamide (CID 66522945) is N-(1-methylquinolin-1-ium-6-yl)acetamide.
What is the SMILES notation for N-(1-methylquinolin-1-ium-6-yl)acetamide?
The canonical SMILES for N-(1-methylquinolin-1-ium-6-yl)acetamide is CC(=O)Nc1ccc2c(ccc[n+]2C)c1.
What is the InChIKey of N-(1-methylquinolin-1-ium-6-yl)acetamide?
The InChIKey is NGAPLNRRUMBXRW-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H12N2O/c1-9(15)13-11-5-6-12-10(8-11)4-3-7-14(12)2/h3-8H,1-2H3/p+1.
What are the key properties of N-(1-methylquinolin-1-ium-6-yl)acetamide?
N-(1-methylquinolin-1-ium-6-yl)acetamide has a molecular weight of 201.25 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylquinolin-1-ium-6-yl)acetamide is sourced from PubChem (CID 66522945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).