3-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide

C11H14N2O — CID 130041063

IUPAC3-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
SMILESCC1Cc2cccc(C(N)=O)c2CN1
InChIInChI=1S/C11H14N2O/c1-7-5-8-3-2-4-9(11(12)14)10(8)6-13-7/h2-4,7,13H,5-6H2,1H3,(H2,12,14)
InChIKeyBPZGPVRXNPEMSR-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.82
Rot. Bonds1

About 3-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide

3-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide (PubChem CID 130041063) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide.

Molecular Properties

Compound Name3-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
PubChem CID130041063
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
SMILESCC1Cc2cccc(C(N)=O)c2CN1
InChIInChI=1S/C11H14N2O/c1-7-5-8-3-2-4-9(11(12)14)10(8)6-13-7/h2-4,7,13H,5-6H2,1H3,(H2,12,14)
InChIKeyBPZGPVRXNPEMSR-UHFFFAOYSA-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)-3-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 131036761
(3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid
CID 130904182
2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride
CID 162338352
(3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 130658829
methyl 3-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxylate
CID 130041121
3-methyl-8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 130041054
3-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 115063736
9H-fluorene-1-carboxamide
CID 18474131
2-hydroxy-1,3-dihydroisoindole-4-carboxamide
CID 170693417
(3R)-3,5-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 35700262
1-[(3S)-8-hydroxy-1,2,3,4-tetrahydroisoquinolin-3-yl]ethanone
CID 59916130
(11S)-11-methyl-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carboxamide
CID 10263936

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide?
The IUPAC name of 3-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide (CID 130041063) is 3-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide.
What is the SMILES notation for 3-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide?
The canonical SMILES for 3-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide is CC1Cc2cccc(C(N)=O)c2CN1.
What is the InChIKey of 3-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide?
The InChIKey is BPZGPVRXNPEMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7-5-8-3-2-4-9(11(12)14)10(8)6-13-7/h2-4,7,13H,5-6H2,1H3,(H2,12,14).
What are the key properties of 3-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide?
3-methyl-1,2,3,4-tetrahydroisoquinoline-8-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 3-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide is sourced from PubChem (CID 130041063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).