2-methyl-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]propanamide

C14H18N2O2 — CID 110723204

IUPAC2-methyl-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]propanamide
SMILESCC(C)C(=O)NCC1CNC(=O)c2ccccc21
InChIInChI=1S/C14H18N2O2/c1-9(2)13(17)15-7-10-8-16-14(18)12-6-4-3-5-11(10)12/h3-6,9-10H,7-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyZGPRCNCZEOTVMO-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.29
Rot. Bonds3

About 2-methyl-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]propanamide

2-methyl-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]propanamide (PubChem CID 110723204) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-methyl-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]propanamide
PubChem CID110723204
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-methyl-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]propanamide
SMILESCC(C)C(=O)NCC1CNC(=O)c2ccccc21
InChIInChI=1S/C14H18N2O2/c1-9(2)13(17)15-7-10-8-16-14(18)12-6-4-3-5-11(10)12/h3-6,9-10H,7-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyZGPRCNCZEOTVMO-UHFFFAOYSA-N
XLogP1.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]carbamate
CID 110723255
3-(2-fluorophenyl)-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]propanamide
CID 110723272
4-fluoro-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]benzamide
CID 110723222
1-benzyl-3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]urea
CID 110748196
N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]thiophene-2-carboxamide
CID 110723215
2-(3-methoxyphenyl)-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]acetamide
CID 110723281
6-oxo-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]-1H-pyridazine-3-carboxamide
CID 110743718
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylpropanamide
CID 60810919
4-butyl-3,4-dihydro-2H-isoquinolin-1-one
CID 54043553
1-(4-fluorophenyl)-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]methanesulfonamide
CID 110723309
2-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide
CID 42940509
3-(2,3-dihydro-1H-inden-1-ylmethylamino)-2-methyl-3-oxopropanoic acid
CID 122065562

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]propanamide?
The IUPAC name of 2-methyl-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]propanamide (CID 110723204) is 2-methyl-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]propanamide is CC(C)C(=O)NCC1CNC(=O)c2ccccc21.
What is the InChIKey of 2-methyl-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]propanamide?
The InChIKey is ZGPRCNCZEOTVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9(2)13(17)15-7-10-8-16-14(18)12-6-4-3-5-11(10)12/h3-6,9-10H,7-8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 2-methyl-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]propanamide?
2-methyl-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]propanamide has a molecular weight of 246.31 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]propanamide is sourced from PubChem (CID 110723204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).