2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxamide

C11H14N2O — CID 116995645

IUPAC2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
SMILESCN1CCc2ccccc2C1C(N)=O
InChIInChI=1S/C11H14N2O/c1-13-7-6-8-4-2-3-5-9(8)10(13)11(12)14/h2-5,10H,6-7H2,1H3,(H2,12,14)
InChIKeyBJKZOHYKCZSFEY-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.70
Rot. Bonds1

About 2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxamide

2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxamide (PubChem CID 116995645) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxamide.

Molecular Properties

Compound Name2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
PubChem CID116995645
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
SMILESCN1CCc2ccccc2C1C(N)=O
InChIInChI=1S/C11H14N2O/c1-13-7-6-8-4-2-3-5-9(8)10(13)11(12)14/h2-5,10H,6-7H2,1H3,(H2,12,14)
InChIKeyBJKZOHYKCZSFEY-UHFFFAOYSA-N
XLogP0.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173135351
2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173232200
3-methyl-1,2,4,5-tetrahydro-3-benzazepine-5-carboxamide
CID 173183510
2-benzyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 23333363
2-(4-methyl-2-oxopentanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173232159
2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173232405
2-(1-acetylpyrrolidine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173232723
2-methyl-3,4-dihydro-1H-isoquinoline-1-thiol
CID 116995589
2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173232418
3-methyl-1,2,4,5-tetrahydro-3-benzazepine-4-carboxylic acid
CID 83882436
N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]acetamide
CID 21030190
2-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 56787394

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxamide?
The IUPAC name of 2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxamide (CID 116995645) is 2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxamide.
What is the SMILES notation for 2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxamide?
The canonical SMILES for 2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxamide is CN1CCc2ccccc2C1C(N)=O.
What is the InChIKey of 2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxamide?
The InChIKey is BJKZOHYKCZSFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-13-7-6-8-4-2-3-5-9(8)10(13)11(12)14/h2-5,10H,6-7H2,1H3,(H2,12,14).
What are the key properties of 2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxamide?
2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxamide has a molecular weight of 190.25 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxamide is sourced from PubChem (CID 116995645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).