(3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide

C11H14N2O — CID 130658829

IUPAC(3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
SMILESC[C@@H]1Cc2cc(C(N)=O)ccc2CN1
InChIInChI=1S/C11H14N2O/c1-7-4-10-5-8(11(12)14)2-3-9(10)6-13-7/h2-3,5,7,13H,4,6H2,1H3,(H2,12,14)/t7-/m1/s1
InChIKeyOZBOXTWPCVWLAH-SSDOTTSWSA-N
MW190.25 g/mol
LogP0.82
Rot. Bonds1

About (3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide

(3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide (PubChem CID 130658829) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide.

Molecular Properties

Compound Name(3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
PubChem CID130658829
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
SMILESC[C@@H]1Cc2cc(C(N)=O)ccc2CN1
InChIInChI=1S/C11H14N2O/c1-7-4-10-5-8(11(12)14)2-3-9(10)6-13-7/h2-3,5,7,13H,4,6H2,1H3,(H2,12,14)/t7-/m1/s1
InChIKeyOZBOXTWPCVWLAH-SSDOTTSWSA-N
XLogP0.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-6-iodo-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 131106139
(3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 131036761
3-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
CID 130041063
(3S)-6-bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 155921000
1,2,3,4-tetrahydroisoquinoline-7-carboxamide;hydrochloride
CID 121334078
5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 25958
2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-8-carboxamide
CID 122440237
2-methyl-1,3-dihydroisoindole-5-carboxamide
CID 84613951
1-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 70321993
2-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxamide
CID 130040098
(3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 86316644
2-methylazetidine;4-methylbenzamide
CID 67940263

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
The IUPAC name of (3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide (CID 130658829) is (3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide.
What is the SMILES notation for (3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
The canonical SMILES for (3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide is C[C@@H]1Cc2cc(C(N)=O)ccc2CN1.
What is the InChIKey of (3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
The InChIKey is OZBOXTWPCVWLAH-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7-4-10-5-8(11(12)14)2-3-9(10)6-13-7/h2-3,5,7,13H,4,6H2,1H3,(H2,12,14)/t7-/m1/s1.
What are the key properties of (3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
(3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide has a molecular weight of 190.25 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide is sourced from PubChem (CID 130658829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).