3-(3-methylisoquinolin-5-yl)propanamide

C13H14N2O — CID 82578305

IUPAC3-(3-methylisoquinolin-5-yl)propanamide
SMILESCc1cc2c(CCC(N)=O)cccc2cn1
InChIInChI=1S/C13H14N2O/c1-9-7-12-10(5-6-13(14)16)3-2-4-11(12)8-15-9/h2-4,7-8H,5-6H2,1H3,(H2,14,16)
InChIKeyUZUAKOGGZFRUDW-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.96
Rot. Bonds3

About 3-(3-methylisoquinolin-5-yl)propanamide

3-(3-methylisoquinolin-5-yl)propanamide (PubChem CID 82578305) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-(3-methylisoquinolin-5-yl)propanamide.

Molecular Properties

Compound Name3-(3-methylisoquinolin-5-yl)propanamide
PubChem CID82578305
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-(3-methylisoquinolin-5-yl)propanamide
SMILESCc1cc2c(CCC(N)=O)cccc2cn1
InChIInChI=1S/C13H14N2O/c1-9-7-12-10(5-6-13(14)16)3-2-4-11(12)8-15-9/h2-4,7-8H,5-6H2,1H3,(H2,14,16)
InChIKeyUZUAKOGGZFRUDW-UHFFFAOYSA-N
XLogP1.96
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylisoquinolin-5-yl)ethanamine
CID 82575483
3-isoquinolin-5-ylpropanamide
CID 82578287
(3-methylisoquinolin-5-yl) butanoate
CID 91019651
3-(4-methoxy-2-methylquinolin-8-yl)propanamide
CID 82578489
1,5-bis(7-aminonaphthalen-1-yl)pentan-3-one
CID 176830379
(3-methylisoquinolin-5-yl)boronic acid
CID 119086201
ethyl (E)-3-(3-methylisoquinolin-5-yl)prop-2-enoate
CID 82579894
3-perylen-3-ylpropanamide
CID 149172575
5-(7-methoxynaphthalen-1-yl)pentanamide
CID 67627444
1-[(3,4-dimethylphenyl)methyl]-1-(3-methylisoquinolin-5-yl)urea
CID 174511402
2,9-dimethyl-3,8-phenanthroline
CID 132510988
tert-butyl N-methyl-N-(3-methylisoquinolin-5-yl)carbamate
CID 155583435

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylisoquinolin-5-yl)propanamide?
The IUPAC name of 3-(3-methylisoquinolin-5-yl)propanamide (CID 82578305) is 3-(3-methylisoquinolin-5-yl)propanamide.
What is the SMILES notation for 3-(3-methylisoquinolin-5-yl)propanamide?
The canonical SMILES for 3-(3-methylisoquinolin-5-yl)propanamide is Cc1cc2c(CCC(N)=O)cccc2cn1.
What is the InChIKey of 3-(3-methylisoquinolin-5-yl)propanamide?
The InChIKey is UZUAKOGGZFRUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-7-12-10(5-6-13(14)16)3-2-4-11(12)8-15-9/h2-4,7-8H,5-6H2,1H3,(H2,14,16).
What are the key properties of 3-(3-methylisoquinolin-5-yl)propanamide?
3-(3-methylisoquinolin-5-yl)propanamide has a molecular weight of 214.27 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylisoquinolin-5-yl)propanamide is sourced from PubChem (CID 82578305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).