N-isoquinolin-6-ylpropanamide;dihydrochloride

C12H14Cl2N2O — CID 66599624

IUPACN-isoquinolin-6-ylpropanamide;dihydrochloride
SMILESCCC(=O)Nc1ccc2cnccc2c1.Cl.Cl
InChIInChI=1S/C12H12N2O.2ClH/c1-2-12(15)14-11-4-3-10-8-13-6-5-9(10)7-11;;/h3-8H,2H2,1H3,(H,14,15);2*1H
InChIKeyHLCBGQKKJJDAAC-UHFFFAOYSA-N
MW273.16 g/mol
LogP3.43
Rot. Bonds2

About N-isoquinolin-6-ylpropanamide;dihydrochloride

N-isoquinolin-6-ylpropanamide;dihydrochloride (PubChem CID 66599624) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is N-isoquinolin-6-ylpropanamide;dihydrochloride.

Molecular Properties

Compound NameN-isoquinolin-6-ylpropanamide;dihydrochloride
PubChem CID66599624
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC NameN-isoquinolin-6-ylpropanamide;dihydrochloride
SMILESCCC(=O)Nc1ccc2cnccc2c1.Cl.Cl
InChIInChI=1S/C12H12N2O.2ClH/c1-2-12(15)14-11-4-3-10-8-13-6-5-9(10)7-11;;/h3-8H,2H2,1H3,(H,14,15);2*1H
InChIKeyHLCBGQKKJJDAAC-UHFFFAOYSA-N
XLogP3.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-isoquinolin-6-ylbutanamide
CID 118007953
3-amino-N-isoquinolin-6-ylpropanamide;ethane
CID 153349000
ethyl N-isoquinolin-6-ylcarbamate
CID 22674074
N-isoquinolin-6-yl-3-phenylpropanamide
CID 24999503
N-isoquinolin-6-yl-2,2-dimethylpropanamide
CID 135199975
N-isoquinolin-6-yl-2-(3-methylanilino)acetamide
CID 59857964
N-isoquinolin-6-yl-2-piperidin-1-ylacetamide
CID 134249863
2-(3-acetylanilino)-N-isoquinolin-6-ylacetamide
CID 59857970
N-[6-(trifluoromethyl)naphthalen-2-yl]propanamide
CID 54419998
N-isoquinolin-6-yl-2-(3-propan-2-yloxyanilino)acetamide
CID 59857971
[4-[2-(isoquinolin-6-ylamino)-2-oxoethyl]phenyl]methyl formate
CID 145314427
4-ethylsulfonyl-N-isoquinolin-6-ylpiperazine-1-carboxamide
CID 167832789

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-6-ylpropanamide;dihydrochloride?
The IUPAC name of N-isoquinolin-6-ylpropanamide;dihydrochloride (CID 66599624) is N-isoquinolin-6-ylpropanamide;dihydrochloride.
What is the SMILES notation for N-isoquinolin-6-ylpropanamide;dihydrochloride?
The canonical SMILES for N-isoquinolin-6-ylpropanamide;dihydrochloride is CCC(=O)Nc1ccc2cnccc2c1.Cl.Cl.
What is the InChIKey of N-isoquinolin-6-ylpropanamide;dihydrochloride?
The InChIKey is HLCBGQKKJJDAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O.2ClH/c1-2-12(15)14-11-4-3-10-8-13-6-5-9(10)7-11;;/h3-8H,2H2,1H3,(H,14,15);2*1H.
What are the key properties of N-isoquinolin-6-ylpropanamide;dihydrochloride?
N-isoquinolin-6-ylpropanamide;dihydrochloride has a molecular weight of 273.16 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-6-ylpropanamide;dihydrochloride is sourced from PubChem (CID 66599624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).