1-amino-5-propan-2-yl-6,7,8,9-tetrahydrofuro[2,3-c]isoquinoline-2-carbohydrazide

C15H20N4O2 — CID 139267119

IUPAC1-amino-5-propan-2-yl-6,7,8,9-tetrahydrofuro[2,3-c]isoquinoline-2-carbohydrazide
SMILESCC(C)c1nc2oc(C(=O)NN)c(N)c2c2c1CCCC2
InChIInChI=1S/C15H20N4O2/c1-7(2)12-9-6-4-3-5-8(9)10-11(16)13(14(20)19-17)21-15(10)18-12/h7H,3-6,16-17H2,1-2H3,(H,19,20)
InChIKeyTUFPSBRLLBUTFC-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.02
Rot. Bonds2

About 1-amino-5-propan-2-yl-6,7,8,9-tetrahydrofuro[2,3-c]isoquinoline-2-carbohydrazide

1-amino-5-propan-2-yl-6,7,8,9-tetrahydrofuro[2,3-c]isoquinoline-2-carbohydrazide (PubChem CID 139267119) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-amino-5-propan-2-yl-6,7,8,9-tetrahydrofuro[2,3-c]isoquinoline-2-carbohydrazide.

Molecular Properties

Compound Name1-amino-5-propan-2-yl-6,7,8,9-tetrahydrofuro[2,3-c]isoquinoline-2-carbohydrazide
PubChem CID139267119
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-amino-5-propan-2-yl-6,7,8,9-tetrahydrofuro[2,3-c]isoquinoline-2-carbohydrazide
SMILESCC(C)c1nc2oc(C(=O)NN)c(N)c2c2c1CCCC2
InChIInChI=1S/C15H20N4O2/c1-7(2)12-9-6-4-3-5-8(9)10-11(16)13(14(20)19-17)21-15(10)18-12/h7H,3-6,16-17H2,1-2H3,(H,19,20)
InChIKeyTUFPSBRLLBUTFC-UHFFFAOYSA-N
XLogP2.02
TPSA107.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.02
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'}

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Related Compounds

(1-amino-5-propan-2-yl-6,7,8,9-tetrahydrofuro[2,3-c]isoquinolin-2-yl)-piperidin-1-ylmethanone
CID 39047066
ethyl 5-propan-2-yl-1-[(2-pyrrolidin-1-ylacetyl)amino]-6,7,8,9-tetrahydrofuro[2,3-c]isoquinoline-2-carboxylate
CID 139267451
ethyl 3-amino-8-(furan-2-yl)-5-oxa-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7-tetraene-4-carboxylate
CID 139237019
2-[(7-propan-2-yl-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)amino]ethylazanium
CID 2038152
5-propan-2-yl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine
CID 658108
7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 82450585
2-cyclopropyl-4-propan-2-yl-1,3-thiazole-5-carbohydrazide
CID 82434583
3-(2-hydroxyethylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 3797618
2-methyl-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684632
2-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide
CID 71808271
propan-2-yl 1-amino-5-(thiophen-2-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
CID 23475241
N-[[(2R)-oxolan-2-yl]methyl]-8-propan-2-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine
CID 1393221

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-propan-2-yl-6,7,8,9-tetrahydrofuro[2,3-c]isoquinoline-2-carbohydrazide?
The IUPAC name of 1-amino-5-propan-2-yl-6,7,8,9-tetrahydrofuro[2,3-c]isoquinoline-2-carbohydrazide (CID 139267119) is 1-amino-5-propan-2-yl-6,7,8,9-tetrahydrofuro[2,3-c]isoquinoline-2-carbohydrazide.
What is the SMILES notation for 1-amino-5-propan-2-yl-6,7,8,9-tetrahydrofuro[2,3-c]isoquinoline-2-carbohydrazide?
The canonical SMILES for 1-amino-5-propan-2-yl-6,7,8,9-tetrahydrofuro[2,3-c]isoquinoline-2-carbohydrazide is CC(C)c1nc2oc(C(=O)NN)c(N)c2c2c1CCCC2.
What is the InChIKey of 1-amino-5-propan-2-yl-6,7,8,9-tetrahydrofuro[2,3-c]isoquinoline-2-carbohydrazide?
The InChIKey is TUFPSBRLLBUTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-7(2)12-9-6-4-3-5-8(9)10-11(16)13(14(20)19-17)21-15(10)18-12/h7H,3-6,16-17H2,1-2H3,(H,19,20).
What are the key properties of 1-amino-5-propan-2-yl-6,7,8,9-tetrahydrofuro[2,3-c]isoquinoline-2-carbohydrazide?
1-amino-5-propan-2-yl-6,7,8,9-tetrahydrofuro[2,3-c]isoquinoline-2-carbohydrazide has a molecular weight of 288.35 g/mol, XLogP of 2.02, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-propan-2-yl-6,7,8,9-tetrahydrofuro[2,3-c]isoquinoline-2-carbohydrazide is sourced from PubChem (CID 139267119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).