2-amino-2-cyclohexyl-N'-isoquinolin-6-ylacetohydrazide

C17H22N4O — CID 77215283

IUPAC2-amino-2-cyclohexyl-N'-isoquinolin-6-ylacetohydrazide
SMILESNC(C(=O)NNc1ccc2cnccc2c1)C1CCCCC1
InChIInChI=1S/C17H22N4O/c18-16(12-4-2-1-3-5-12)17(22)21-20-15-7-6-14-11-19-9-8-13(14)10-15/h6-12,16,20H,1-5,18H2,(H,21,22)
InChIKeyMWYTZGKKSBCPKE-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.59
Rot. Bonds4

About 2-amino-2-cyclohexyl-N'-isoquinolin-6-ylacetohydrazide

2-amino-2-cyclohexyl-N'-isoquinolin-6-ylacetohydrazide (PubChem CID 77215283) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-amino-2-cyclohexyl-N'-isoquinolin-6-ylacetohydrazide.

Molecular Properties

Compound Name2-amino-2-cyclohexyl-N'-isoquinolin-6-ylacetohydrazide
PubChem CID77215283
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-amino-2-cyclohexyl-N'-isoquinolin-6-ylacetohydrazide
SMILESNC(C(=O)NNc1ccc2cnccc2c1)C1CCCCC1
InChIInChI=1S/C17H22N4O/c18-16(12-4-2-1-3-5-12)17(22)21-20-15-7-6-14-11-19-9-8-13(14)10-15/h6-12,16,20H,1-5,18H2,(H,21,22)
InChIKeyMWYTZGKKSBCPKE-UHFFFAOYSA-N
XLogP2.59
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclohexyl-N'-isoquinolin-6-ylacetohydrazide?
The IUPAC name of 2-amino-2-cyclohexyl-N'-isoquinolin-6-ylacetohydrazide (CID 77215283) is 2-amino-2-cyclohexyl-N'-isoquinolin-6-ylacetohydrazide.
What is the SMILES notation for 2-amino-2-cyclohexyl-N'-isoquinolin-6-ylacetohydrazide?
The canonical SMILES for 2-amino-2-cyclohexyl-N'-isoquinolin-6-ylacetohydrazide is NC(C(=O)NNc1ccc2cnccc2c1)C1CCCCC1.
What is the InChIKey of 2-amino-2-cyclohexyl-N'-isoquinolin-6-ylacetohydrazide?
The InChIKey is MWYTZGKKSBCPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c18-16(12-4-2-1-3-5-12)17(22)21-20-15-7-6-14-11-19-9-8-13(14)10-15/h6-12,16,20H,1-5,18H2,(H,21,22).
What are the key properties of 2-amino-2-cyclohexyl-N'-isoquinolin-6-ylacetohydrazide?
2-amino-2-cyclohexyl-N'-isoquinolin-6-ylacetohydrazide has a molecular weight of 298.39 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclohexyl-N'-isoquinolin-6-ylacetohydrazide is sourced from PubChem (CID 77215283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).