[1-(ethylamino)isoquinolin-3-yl]-(3-methylpyrrolidin-1-yl)methanone

C17H21N3O — CID 62180973

IUPAC[1-(ethylamino)isoquinolin-3-yl]-(3-methylpyrrolidin-1-yl)methanone
SMILESCCNc1nc(C(=O)N2CCC(C)C2)cc2ccccc12
InChIInChI=1S/C17H21N3O/c1-3-18-16-14-7-5-4-6-13(14)10-15(19-16)17(21)20-9-8-12(2)11-20/h4-7,10,12H,3,8-9,11H2,1-2H3,(H,18,19)
InChIKeyXMCVWLLNQARPOT-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.15
Rot. Bonds3

About [1-(ethylamino)isoquinolin-3-yl]-(3-methylpyrrolidin-1-yl)methanone

[1-(ethylamino)isoquinolin-3-yl]-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 62180973) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is [1-(ethylamino)isoquinolin-3-yl]-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(ethylamino)isoquinolin-3-yl]-(3-methylpyrrolidin-1-yl)methanone
PubChem CID62180973
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name[1-(ethylamino)isoquinolin-3-yl]-(3-methylpyrrolidin-1-yl)methanone
SMILESCCNc1nc(C(=O)N2CCC(C)C2)cc2ccccc12
InChIInChI=1S/C17H21N3O/c1-3-18-16-14-7-5-4-6-13(14)10-15(19-16)17(21)20-9-8-12(2)11-20/h4-7,10,12H,3,8-9,11H2,1-2H3,(H,18,19)
InChIKeyXMCVWLLNQARPOT-UHFFFAOYSA-N
XLogP3.15
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(ethylamino)isoquinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 62166101
(3,4-dimethylpyrrolidin-1-yl)-[1-(methylamino)isoquinolin-3-yl]methanone
CID 79179421
N-(cyclopropylmethyl)-1-(ethylamino)isoquinoline-3-carboxamide
CID 62173096
N-(2,2-difluoroethyl)-1-(ethylamino)isoquinoline-3-carboxamide
CID 115408648
(4-hydrazinylquinolin-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 63375065
[4-(ethylamino)quinolin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 63375602
1-(ethylamino)-N-(2-hydroxypropyl)-N-methylisoquinoline-3-carboxamide
CID 62337215
1-(ethylamino)-N-(3-methylsulfanylpropyl)isoquinoline-3-carboxamide
CID 63964008
[6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62180267
(4-hydrazinylquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 63375198
(6-amino-2-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62240676
[6-(ethylamino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 62172058

Frequently Asked Questions

What is the IUPAC name of [1-(ethylamino)isoquinolin-3-yl]-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [1-(ethylamino)isoquinolin-3-yl]-(3-methylpyrrolidin-1-yl)methanone (CID 62180973) is [1-(ethylamino)isoquinolin-3-yl]-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-(ethylamino)isoquinolin-3-yl]-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [1-(ethylamino)isoquinolin-3-yl]-(3-methylpyrrolidin-1-yl)methanone is CCNc1nc(C(=O)N2CCC(C)C2)cc2ccccc12.
What is the InChIKey of [1-(ethylamino)isoquinolin-3-yl]-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is XMCVWLLNQARPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-18-16-14-7-5-4-6-13(14)10-15(19-16)17(21)20-9-8-12(2)11-20/h4-7,10,12H,3,8-9,11H2,1-2H3,(H,18,19).
What are the key properties of [1-(ethylamino)isoquinolin-3-yl]-(3-methylpyrrolidin-1-yl)methanone?
[1-(ethylamino)isoquinolin-3-yl]-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 283.38 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylamino)isoquinolin-3-yl]-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 62180973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).