4-(2-methylcyclohexyl)quinoline-2-carbohydrazide

C17H21N3O — CID 118731597

IUPAC4-(2-methylcyclohexyl)quinoline-2-carbohydrazide
SMILESCC1CCCCC1c1cc(C(=O)NN)nc2ccccc12
InChIInChI=1S/C17H21N3O/c1-11-6-2-3-7-12(11)14-10-16(17(21)20-18)19-15-9-5-4-8-13(14)15/h4-5,8-12H,2-3,6-7,18H2,1H3,(H,20,21)
InChIKeyIHKFNHOJSOAMSI-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.13
Rot. Bonds2

About 4-(2-methylcyclohexyl)quinoline-2-carbohydrazide

4-(2-methylcyclohexyl)quinoline-2-carbohydrazide (PubChem CID 118731597) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-(2-methylcyclohexyl)quinoline-2-carbohydrazide.

Molecular Properties

Compound Name4-(2-methylcyclohexyl)quinoline-2-carbohydrazide
PubChem CID118731597
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-(2-methylcyclohexyl)quinoline-2-carbohydrazide
SMILESCC1CCCCC1c1cc(C(=O)NN)nc2ccccc12
InChIInChI=1S/C17H21N3O/c1-11-6-2-3-7-12(11)14-10-16(17(21)20-18)19-15-9-5-4-8-13(14)15/h4-5,8-12H,2-3,6-7,18H2,1H3,(H,20,21)
InChIKeyIHKFNHOJSOAMSI-UHFFFAOYSA-N
XLogP3.13
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylcyclohexyl)quinoline-2-carbohydrazide?
The IUPAC name of 4-(2-methylcyclohexyl)quinoline-2-carbohydrazide (CID 118731597) is 4-(2-methylcyclohexyl)quinoline-2-carbohydrazide.
What is the SMILES notation for 4-(2-methylcyclohexyl)quinoline-2-carbohydrazide?
The canonical SMILES for 4-(2-methylcyclohexyl)quinoline-2-carbohydrazide is CC1CCCCC1c1cc(C(=O)NN)nc2ccccc12.
What is the InChIKey of 4-(2-methylcyclohexyl)quinoline-2-carbohydrazide?
The InChIKey is IHKFNHOJSOAMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11-6-2-3-7-12(11)14-10-16(17(21)20-18)19-15-9-5-4-8-13(14)15/h4-5,8-12H,2-3,6-7,18H2,1H3,(H,20,21).
What are the key properties of 4-(2-methylcyclohexyl)quinoline-2-carbohydrazide?
4-(2-methylcyclohexyl)quinoline-2-carbohydrazide has a molecular weight of 283.38 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylcyclohexyl)quinoline-2-carbohydrazide is sourced from PubChem (CID 118731597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).