2,2,3,3-tetramethyl-N'-quinolin-5-ylcyclopropane-1-carbohydrazide

C17H21N3O — CID 11955514

IUPAC2,2,3,3-tetramethyl-N'-quinolin-5-ylcyclopropane-1-carbohydrazide
SMILESCC1(C)C(C(=O)NNc2cccc3ncccc23)C1(C)C
InChIInChI=1S/C17H21N3O/c1-16(2)14(17(16,3)4)15(21)20-19-13-9-5-8-12-11(13)7-6-10-18-12/h5-10,14,19H,1-4H3,(H,20,21)
InChIKeyFMLCYNUMLDNELW-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.36
Rot. Bonds3

About 2,2,3,3-tetramethyl-N'-quinolin-5-ylcyclopropane-1-carbohydrazide

2,2,3,3-tetramethyl-N'-quinolin-5-ylcyclopropane-1-carbohydrazide (PubChem CID 11955514) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-N'-quinolin-5-ylcyclopropane-1-carbohydrazide.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-N'-quinolin-5-ylcyclopropane-1-carbohydrazide
PubChem CID11955514
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2,2,3,3-tetramethyl-N'-quinolin-5-ylcyclopropane-1-carbohydrazide
SMILESCC1(C)C(C(=O)NNc2cccc3ncccc23)C1(C)C
InChIInChI=1S/C17H21N3O/c1-16(2)14(17(16,3)4)15(21)20-19-13-9-5-8-12-11(13)7-6-10-18-12/h5-10,14,19H,1-4H3,(H,20,21)
InChIKeyFMLCYNUMLDNELW-UHFFFAOYSA-N
XLogP3.36
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2,2,3,3-tetramethyl-N'-quinolin-5-ylcyclopropane-1-carbohydrazide?
The IUPAC name of 2,2,3,3-tetramethyl-N'-quinolin-5-ylcyclopropane-1-carbohydrazide (CID 11955514) is 2,2,3,3-tetramethyl-N'-quinolin-5-ylcyclopropane-1-carbohydrazide.
What is the SMILES notation for 2,2,3,3-tetramethyl-N'-quinolin-5-ylcyclopropane-1-carbohydrazide?
The canonical SMILES for 2,2,3,3-tetramethyl-N'-quinolin-5-ylcyclopropane-1-carbohydrazide is CC1(C)C(C(=O)NNc2cccc3ncccc23)C1(C)C.
What is the InChIKey of 2,2,3,3-tetramethyl-N'-quinolin-5-ylcyclopropane-1-carbohydrazide?
The InChIKey is FMLCYNUMLDNELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-16(2)14(17(16,3)4)15(21)20-19-13-9-5-8-12-11(13)7-6-10-18-12/h5-10,14,19H,1-4H3,(H,20,21).
What are the key properties of 2,2,3,3-tetramethyl-N'-quinolin-5-ylcyclopropane-1-carbohydrazide?
2,2,3,3-tetramethyl-N'-quinolin-5-ylcyclopropane-1-carbohydrazide has a molecular weight of 283.38 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-N'-quinolin-5-ylcyclopropane-1-carbohydrazide is sourced from PubChem (CID 11955514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).