1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbohydrazide

C16H21N5O2S — CID 948446

IUPAC1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbohydrazide
SMILESNNC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3
InChIInChI=1S/C16H21N5O2S/c17-12-11-9-3-1-2-4-10(9)14(21-5-7-23-8-6-21)19-16(11)24-13(12)15(22)20-18/h1-8,17-18H2,(H,20,22)
InChIKeyQVLTULSRHPJRHI-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.20
Rot. Bonds2

About 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbohydrazide

1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbohydrazide (PubChem CID 948446) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbohydrazide.

Molecular Properties

Compound Name1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbohydrazide
PubChem CID948446
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbohydrazide
SMILESNNC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3
InChIInChI=1S/C16H21N5O2S/c17-12-11-9-3-1-2-4-10(9)14(21-5-7-23-8-6-21)19-16(11)24-13(12)15(22)20-18/h1-8,17-18H2,(H,20,22)
InChIKeyQVLTULSRHPJRHI-UHFFFAOYSA-N
XLogP1.20
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Amino-5-(4-morpholinyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 630406
1-amino-8,8-dimethyl-5-morpholino-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
CID 1097656
1-Amino-5-(4-morpholinyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid ethyl ester
CID 658121
1-amino-N,N-dibutyl-5-(morpholin-4-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 3785801
5-(4-Morpholinyl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-8-ol
CID 135454547
9-methyl-5-(4-morpholinyl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-8(9H)-one
CID 658826
7-Methyl-14-morpholin-4-yl-11-thia-3,8,13-triazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),13,15(20)-tetraene-4,9-dione
CID 658994
5-morpholino-9-phenethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8(9H)-one
CID 1256456
1-amino-5-(4-morpholinyl)-N-(2-phenylethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 1258323
1-amino-N-(4-bromophenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 2979637
1-amino-N,N-diethyl-5-(morpholin-4-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 2989254
1-amino-N-benzyl-5-(morpholin-4-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 3698747

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbohydrazide?
The IUPAC name of 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbohydrazide (CID 948446) is 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbohydrazide.
What is the SMILES notation for 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbohydrazide?
The canonical SMILES for 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbohydrazide is NNC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3.
What is the InChIKey of 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbohydrazide?
The InChIKey is QVLTULSRHPJRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c17-12-11-9-3-1-2-4-10(9)14(21-5-7-23-8-6-21)19-16(11)24-13(12)15(22)20-18/h1-8,17-18H2,(H,20,22).
What are the key properties of 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbohydrazide?
1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbohydrazide has a molecular weight of 347.44 g/mol, XLogP of 1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbohydrazide is sourced from PubChem (CID 948446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).