(3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide

C12H17N3O3 — CID 7201454

IUPAC(3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide
SMILESCOc1cc2c(cc1OC)C[C@@H](C(=O)NN)NC2
InChIInChI=1S/C12H17N3O3/c1-17-10-4-7-3-9(12(16)15-13)14-6-8(7)5-11(10)18-2/h4-5,9,14H,3,6,13H2,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyLOEGUZIBGCGRES-VIFPVBQESA-N
MW251.29 g/mol
LogP-0.29
Rot. Bonds3

About (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide

(3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide (PubChem CID 7201454) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide.

Molecular Properties

Compound Name(3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide
PubChem CID7201454
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name(3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide
SMILESCOc1cc2c(cc1OC)C[C@@H](C(=O)NN)NC2
InChIInChI=1S/C12H17N3O3/c1-17-10-4-7-3-9(12(16)15-13)14-6-8(7)5-11(10)18-2/h4-5,9,14H,3,6,13H2,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyLOEGUZIBGCGRES-VIFPVBQESA-N
XLogP-0.29
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide with MolForge

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Related Compounds

tert-butyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 74600462
ethyl 7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;hydrochloride
CID 13406811
7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 15296734
[(3R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 39345525
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 52994114
N-[1-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119287489
methyl (3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 99908919
(3R)-N-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 124610090
N-(4-acetamido-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119283809
5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxylic acid
CID 18545807
methyl (2S)-2-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)propanoate
CID 43709406
methyl (2S)-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoate
CID 93268314

Frequently Asked Questions

What is the IUPAC name of (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide?
The IUPAC name of (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide (CID 7201454) is (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide.
What is the SMILES notation for (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide?
The canonical SMILES for (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide is COc1cc2c(cc1OC)C[C@@H](C(=O)NN)NC2.
What is the InChIKey of (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide?
The InChIKey is LOEGUZIBGCGRES-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N3O3/c1-17-10-4-7-3-9(12(16)15-13)14-6-8(7)5-11(10)18-2/h4-5,9,14H,3,6,13H2,1-2H3,(H,15,16)/t9-/m0/s1.
What are the key properties of (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide?
(3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide has a molecular weight of 251.29 g/mol, XLogP of -0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide is sourced from PubChem (CID 7201454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).