2-methyl-6-(2-piperidin-1-ylethylamino)isoquinolin-1-one

C17H23N3O — CID 20799455

IUPAC2-methyl-6-(2-piperidin-1-ylethylamino)isoquinolin-1-one
SMILESCn1ccc2cc(NCCN3CCCCC3)ccc2c1=O
InChIInChI=1S/C17H23N3O/c1-19-11-7-14-13-15(5-6-16(14)17(19)21)18-8-12-20-9-3-2-4-10-20/h5-7,11,13,18H,2-4,8-10,12H2,1H3
InChIKeyHYEXUVVVKCODSF-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.44
Rot. Bonds4

About 2-methyl-6-(2-piperidin-1-ylethylamino)isoquinolin-1-one

2-methyl-6-(2-piperidin-1-ylethylamino)isoquinolin-1-one (PubChem CID 20799455) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methyl-6-(2-piperidin-1-ylethylamino)isoquinolin-1-one.

Molecular Properties

Compound Name2-methyl-6-(2-piperidin-1-ylethylamino)isoquinolin-1-one
PubChem CID20799455
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-methyl-6-(2-piperidin-1-ylethylamino)isoquinolin-1-one
SMILESCn1ccc2cc(NCCN3CCCCC3)ccc2c1=O
InChIInChI=1S/C17H23N3O/c1-19-11-7-14-13-15(5-6-16(14)17(19)21)18-8-12-20-9-3-2-4-10-20/h5-7,11,13,18H,2-4,8-10,12H2,1H3
InChIKeyHYEXUVVVKCODSF-UHFFFAOYSA-N
XLogP2.44
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-(methylamino)isoquinolin-1-one
CID 20799475
3-chloro-4-methyl-N-(2-piperidin-1-ylethyl)aniline
CID 54807377
7-(butylamino)-2-methylisoquinolin-1-one
CID 166187963
6-[(5-cyclohexyl-2-pyridinyl)methylamino]-2-methylisoquinolin-1-one
CID 165152901
1-N-[2-(azepan-1-yl)ethyl]-4-methylbenzene-1,3-diamine
CID 62911471
1-hydroxy-2-methyl-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-3-one
CID 90767934
4-N-[2-(azepan-1-yl)ethyl]benzene-1,2,4-triamine
CID 106750490
1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1-oxo-6-(2-piperidin-1-ylethylamino)isoquinolin-2-yl]phenyl]urea
CID 20799673
N-[2-(azepan-1-yl)ethyl]-4-methyl-3-nitroaniline
CID 62910380
3,4-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 82089741
2-methyl-4-(2-pyrrolidin-1-ylethylamino)benzoic acid
CID 81282265
6-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylisoquinolin-1-one;7-methyl-2,3-dihydro-1H-pyrrolo[3,2-f]isoquinolin-6-one;6-methyl-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-5-one;2-methyl-6-(1-methyl-4,5-dihydroimidazol-2-yl)isoquinolin-1-one;2-methyl-6-(3-morpholin-4-ylpropylamino)isoquinolin-1-one;2-methyl-6-(3-piperidin-1-ylpropylamino)isoquinolin-1-one;2-methyl-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-1-one;2-methyl-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-1-one
CID 159366073

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-piperidin-1-ylethylamino)isoquinolin-1-one?
The IUPAC name of 2-methyl-6-(2-piperidin-1-ylethylamino)isoquinolin-1-one (CID 20799455) is 2-methyl-6-(2-piperidin-1-ylethylamino)isoquinolin-1-one.
What is the SMILES notation for 2-methyl-6-(2-piperidin-1-ylethylamino)isoquinolin-1-one?
The canonical SMILES for 2-methyl-6-(2-piperidin-1-ylethylamino)isoquinolin-1-one is Cn1ccc2cc(NCCN3CCCCC3)ccc2c1=O.
What is the InChIKey of 2-methyl-6-(2-piperidin-1-ylethylamino)isoquinolin-1-one?
The InChIKey is HYEXUVVVKCODSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-19-11-7-14-13-15(5-6-16(14)17(19)21)18-8-12-20-9-3-2-4-10-20/h5-7,11,13,18H,2-4,8-10,12H2,1H3.
What are the key properties of 2-methyl-6-(2-piperidin-1-ylethylamino)isoquinolin-1-one?
2-methyl-6-(2-piperidin-1-ylethylamino)isoquinolin-1-one has a molecular weight of 285.39 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-piperidin-1-ylethylamino)isoquinolin-1-one is sourced from PubChem (CID 20799455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).