(3R)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

C11H14N2O — CID 59118666

IUPAC(3R)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESCN1Cc2ccccc2C[C@@H]1C(N)=O
InChIInChI=1S/C11H14N2O/c1-13-7-9-5-3-2-4-8(9)6-10(13)11(12)14/h2-5,10H,6-7H2,1H3,(H2,12,14)/t10-/m1/s1
InChIKeyVSMHQUMPAPEHJU-SNVBAGLBSA-N
MW190.25 g/mol
LogP0.53
Rot. Bonds1

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

(3R)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 59118666) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (3R)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
PubChem CID59118666
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(3R)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESCN1Cc2ccccc2C[C@@H]1C(N)=O
InChIInChI=1S/C11H14N2O/c1-13-7-9-5-3-2-4-8(9)6-10(13)11(12)14/h2-5,10H,6-7H2,1H3,(H2,12,14)/t10-/m1/s1
InChIKeyVSMHQUMPAPEHJU-SNVBAGLBSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-2-tert-butyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 70166082
methoxymethane;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 91129001
1-(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)ethanethione
CID 88885145
N,N-dimethylmethanamine;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 91526196
(3S)-2-(dimethylsulfamoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 47081758
2-methyl-N-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 58142666
2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 169430279
2-(2,3,4,5,6-pentamethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 42888418
2-(2,2-diphenylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 17438722
(3S)-2-(cyanomethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55935265
ethyl 2-[(2-methyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]propanoate
CID 110226024
2-[3-oxo-3-(propan-2-ylamino)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 42957759

Frequently Asked Questions

What is the IUPAC name of (3R)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The IUPAC name of (3R)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 59118666) is (3R)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The canonical SMILES for (3R)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide is CN1Cc2ccccc2C[C@@H]1C(N)=O.
What is the InChIKey of (3R)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The InChIKey is VSMHQUMPAPEHJU-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14N2O/c1-13-7-9-5-3-2-4-8(9)6-10(13)11(12)14/h2-5,10H,6-7H2,1H3,(H2,12,14)/t10-/m1/s1.
What are the key properties of (3R)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?
(3R)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 190.25 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 59118666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).