2-(methylamino)-1-quinolin-6-ylethanone

C12H12N2O — CID 84669481

IUPAC2-(methylamino)-1-quinolin-6-ylethanone
SMILESCNCC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C12H12N2O/c1-13-8-12(15)10-4-5-11-9(7-10)3-2-6-14-11/h2-7,13H,8H2,1H3
InChIKeyYCCJPTYUAHHWAI-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.64
Rot. Bonds3

About 2-(methylamino)-1-quinolin-6-ylethanone

2-(methylamino)-1-quinolin-6-ylethanone (PubChem CID 84669481) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(methylamino)-1-quinolin-6-ylethanone.

Molecular Properties

Compound Name2-(methylamino)-1-quinolin-6-ylethanone
PubChem CID84669481
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-(methylamino)-1-quinolin-6-ylethanone
SMILESCNCC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C12H12N2O/c1-13-8-12(15)10-4-5-11-9(7-10)3-2-6-14-11/h2-7,13H,8H2,1H3
InChIKeyYCCJPTYUAHHWAI-UHFFFAOYSA-N
XLogP1.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(propan-2-ylamino)-1-quinolin-6-ylethanone
CID 116554909
2-tert-butylsulfanyl-1-quinolin-6-ylethanone
CID 81219969
ethane;quinoline-6-carboxylic acid
CID 91364452
2-(4-methylphenyl)-1-quinolin-6-ylethanone
CID 63096314
methyl 2-methyl-4-oxo-4-quinolin-6-ylbutanoate
CID 63968055
5-amino-1-quinolin-6-ylpentan-1-one
CID 116572003
(2-methylthiophen-3-yl)-quinolin-6-ylmethanone
CID 102830747
N-(2-amino-2-sulfanylideneethyl)quinoline-6-carboxamide
CID 62850973
propyl 4-oxo-4-quinolin-6-ylbutanoate
CID 63968471
N-(2-chloroethyl)quinoline-6-carboxamide
CID 62874874
3-(aminomethyl)-5-methyl-1-quinolin-6-ylhexan-1-one
CID 116576913
2-(prop-2-ynylamino)-1-quinolin-7-ylethanone
CID 116589414

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-quinolin-6-ylethanone?
The IUPAC name of 2-(methylamino)-1-quinolin-6-ylethanone (CID 84669481) is 2-(methylamino)-1-quinolin-6-ylethanone.
What is the SMILES notation for 2-(methylamino)-1-quinolin-6-ylethanone?
The canonical SMILES for 2-(methylamino)-1-quinolin-6-ylethanone is CNCC(=O)c1ccc2ncccc2c1.
What is the InChIKey of 2-(methylamino)-1-quinolin-6-ylethanone?
The InChIKey is YCCJPTYUAHHWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-13-8-12(15)10-4-5-11-9(7-10)3-2-6-14-11/h2-7,13H,8H2,1H3.
What are the key properties of 2-(methylamino)-1-quinolin-6-ylethanone?
2-(methylamino)-1-quinolin-6-ylethanone has a molecular weight of 200.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-quinolin-6-ylethanone is sourced from PubChem (CID 84669481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).