N-methyl-3-(2-methyl-1H-isoquinolin-3-yl)propanamide

C14H18N2O — CID 177038950

IUPACN-methyl-3-(2-methyl-1H-isoquinolin-3-yl)propanamide
SMILESCNC(=O)CCC1=Cc2ccccc2CN1C
InChIInChI=1S/C14H18N2O/c1-15-14(17)8-7-13-9-11-5-3-4-6-12(11)10-16(13)2/h3-6,9H,7-8,10H2,1-2H3,(H,15,17)
InChIKeyIKTZTXLMSDIQEZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.00
Rot. Bonds3

About N-methyl-3-(2-methyl-1H-isoquinolin-3-yl)propanamide

N-methyl-3-(2-methyl-1H-isoquinolin-3-yl)propanamide (PubChem CID 177038950) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-methyl-3-(2-methyl-1H-isoquinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(2-methyl-1H-isoquinolin-3-yl)propanamide
PubChem CID177038950
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-methyl-3-(2-methyl-1H-isoquinolin-3-yl)propanamide
SMILESCNC(=O)CCC1=Cc2ccccc2CN1C
InChIInChI=1S/C14H18N2O/c1-15-14(17)8-7-13-9-11-5-3-4-6-12(11)10-16(13)2/h3-6,9H,7-8,10H2,1-2H3,(H,15,17)
InChIKeyIKTZTXLMSDIQEZ-UHFFFAOYSA-N
XLogP2.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxyethyl)-2-methyl-1H-isoquinoline-3-carboxamide
CID 71063725
2-[3-(methylamino)-3-oxopropyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65260864
4-chloro-2-methyl-1,3-dihydro-2-benzazepine
CID 101083787
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide
CID 89467898
N-methyl-3-naphthalen-2-ylpropanamide
CID 47293107
N-methyl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide
CID 115104952
1-(4-chlorophenyl)-3-(1H-isoquinolin-2-yl)propan-1-one
CID 173452235
2-(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide
CID 110457090
2-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide
CID 110456763
3-(1,3-dihydroisoindol-2-yl)propanehydrazide
CID 63572405
N-methyl-9-phenylnonanamide
CID 118028570

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methyl-1H-isoquinolin-3-yl)propanamide?
The IUPAC name of N-methyl-3-(2-methyl-1H-isoquinolin-3-yl)propanamide (CID 177038950) is N-methyl-3-(2-methyl-1H-isoquinolin-3-yl)propanamide.
What is the SMILES notation for N-methyl-3-(2-methyl-1H-isoquinolin-3-yl)propanamide?
The canonical SMILES for N-methyl-3-(2-methyl-1H-isoquinolin-3-yl)propanamide is CNC(=O)CCC1=Cc2ccccc2CN1C.
What is the InChIKey of N-methyl-3-(2-methyl-1H-isoquinolin-3-yl)propanamide?
The InChIKey is IKTZTXLMSDIQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-15-14(17)8-7-13-9-11-5-3-4-6-12(11)10-16(13)2/h3-6,9H,7-8,10H2,1-2H3,(H,15,17).
What are the key properties of N-methyl-3-(2-methyl-1H-isoquinolin-3-yl)propanamide?
N-methyl-3-(2-methyl-1H-isoquinolin-3-yl)propanamide has a molecular weight of 230.31 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methyl-1H-isoquinolin-3-yl)propanamide is sourced from PubChem (CID 177038950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).