N-(2-cyanoethyl)-N-ethyl-2-hydrazinylquinoline-4-carboxamide

C15H17N5O — CID 62248584

IUPACN-(2-cyanoethyl)-N-ethyl-2-hydrazinylquinoline-4-carboxamide
SMILESCCN(CCC#N)C(=O)c1cc(NN)nc2ccccc12
InChIInChI=1S/C15H17N5O/c1-2-20(9-5-8-16)15(21)12-10-14(19-17)18-13-7-4-3-6-11(12)13/h3-4,6-7,10H,2,5,9,17H2,1H3,(H,18,19)
InChIKeyAWPGDCVWPBWHRW-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.90
Rot. Bonds5

About N-(2-cyanoethyl)-N-ethyl-2-hydrazinylquinoline-4-carboxamide

N-(2-cyanoethyl)-N-ethyl-2-hydrazinylquinoline-4-carboxamide (PubChem CID 62248584) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-ethyl-2-hydrazinylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-ethyl-2-hydrazinylquinoline-4-carboxamide
PubChem CID62248584
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC NameN-(2-cyanoethyl)-N-ethyl-2-hydrazinylquinoline-4-carboxamide
SMILESCCN(CCC#N)C(=O)c1cc(NN)nc2ccccc12
InChIInChI=1S/C15H17N5O/c1-2-20(9-5-8-16)15(21)12-10-14(19-17)18-13-7-4-3-6-11(12)13/h3-4,6-7,10H,2,5,9,17H2,1H3,(H,18,19)
InChIKeyAWPGDCVWPBWHRW-UHFFFAOYSA-N
XLogP1.90
TPSA95.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 N-(2-cyanoethyl)-N-ethyl-2-hydrazinylquinoline-4-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-ethyl-2-hydrazinylquinoline-4-carboxamide (CID 62248584) is N-(2-cyanoethyl)-N-ethyl-2-hydrazinylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-ethyl-2-hydrazinylquinoline-4-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-ethyl-2-hydrazinylquinoline-4-carboxamide is CCN(CCC#N)C(=O)c1cc(NN)nc2ccccc12.
What is the InChIKey of N-(2-cyanoethyl)-N-ethyl-2-hydrazinylquinoline-4-carboxamide?
The InChIKey is AWPGDCVWPBWHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-2-20(9-5-8-16)15(21)12-10-14(19-17)18-13-7-4-3-6-11(12)13/h3-4,6-7,10H,2,5,9,17H2,1H3,(H,18,19).
What are the key properties of N-(2-cyanoethyl)-N-ethyl-2-hydrazinylquinoline-4-carboxamide?
N-(2-cyanoethyl)-N-ethyl-2-hydrazinylquinoline-4-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-ethyl-2-hydrazinylquinoline-4-carboxamide is sourced from PubChem (CID 62248584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).