(3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

C11H14N2O — CID 131036761

IUPAC(3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESC[C@H]1Cc2c(cccc2C(N)=O)CN1
InChIInChI=1S/C11H14N2O/c1-7-5-10-8(6-13-7)3-2-4-9(10)11(12)14/h2-4,7,13H,5-6H2,1H3,(H2,12,14)/t7-/m0/s1
InChIKeyFBMRBIPURSSXMO-ZETCQYMHSA-N
MW190.25 g/mol
LogP0.82
Rot. Bonds1

About (3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

(3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (PubChem CID 131036761) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.

Molecular Properties

Compound Name(3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
PubChem CID131036761
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESC[C@H]1Cc2c(cccc2C(N)=O)CN1
InChIInChI=1S/C11H14N2O/c1-7-5-10-8(6-13-7)3-2-4-9(10)11(12)14/h2-4,7,13H,5-6H2,1H3,(H2,12,14)/t7-/m0/s1
InChIKeyFBMRBIPURSSXMO-ZETCQYMHSA-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

3-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
CID 130041063
methyl 3-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxylate
CID 130041121
3-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 115063736
(3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid
CID 130904182
(3R)-3,5-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 35700262
2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride
CID 162338352
(3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 130658829
3-methyl-5-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
CID 82583605
2-[(2S)-2-hydroxy-2-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]benzamide
CID 153284714
2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]benzamide
CID 69189154
2-hydroxy-1,3-dihydroisoindole-4-carboxamide
CID 170693417
(3S)-3-methyl-2,3-dihydro-1H-isoindole-4-carboxylic acid
CID 130650466

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The IUPAC name of (3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (CID 131036761) is (3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.
What is the SMILES notation for (3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The canonical SMILES for (3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is C[C@H]1Cc2c(cccc2C(N)=O)CN1.
What is the InChIKey of (3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The InChIKey is FBMRBIPURSSXMO-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7-5-10-8(6-13-7)3-2-4-9(10)11(12)14/h2-4,7,13H,5-6H2,1H3,(H2,12,14)/t7-/m0/s1.
What are the key properties of (3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
(3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline-5-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 (3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is sourced from PubChem (CID 131036761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).