N-(2-acetamidoethyl)-2-hydrazinylquinoline-4-carboxamide

C14H17N5O2 — CID 62241412

IUPACN-(2-acetamidoethyl)-2-hydrazinylquinoline-4-carboxamide
SMILESCC(=O)NCCNC(=O)c1cc(NN)nc2ccccc12
InChIInChI=1S/C14H17N5O2/c1-9(20)16-6-7-17-14(21)11-8-13(19-15)18-12-5-3-2-4-10(11)12/h2-5,8H,6-7,15H2,1H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyXRNZVLKHIOGSSL-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.39
Rot. Bonds5

About N-(2-acetamidoethyl)-2-hydrazinylquinoline-4-carboxamide

N-(2-acetamidoethyl)-2-hydrazinylquinoline-4-carboxamide (PubChem CID 62241412) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-hydrazinylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-hydrazinylquinoline-4-carboxamide
PubChem CID62241412
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-(2-acetamidoethyl)-2-hydrazinylquinoline-4-carboxamide
SMILESCC(=O)NCCNC(=O)c1cc(NN)nc2ccccc12
InChIInChI=1S/C14H17N5O2/c1-9(20)16-6-7-17-14(21)11-8-13(19-15)18-12-5-3-2-4-10(11)12/h2-5,8H,6-7,15H2,1H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyXRNZVLKHIOGSSL-UHFFFAOYSA-N
XLogP0.39
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydrazinyl-N-(2-methoxyethyl)quinoline-4-carboxamide
CID 62235922
N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide
CID 8991025
N-[2-(dimethylamino)propyl]-2-hydrazinylquinoline-4-carboxamide
CID 62247663
N-(2-acetamidoethyl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 24687149
2-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)quinoline-4-carboxamide
CID 62247287
2-hydrazinyl-N-(1-methylcyclopropyl)quinoline-4-carboxamide
CID 113486009
2-(methylamino)-N-(2-methylsulfinylethyl)quinoline-4-carboxamide
CID 115650076
N-ethyl-2-hydrazinyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 62242827
N-ethyl-2-hydrazinyl-N-propylquinoline-4-carboxamide
CID 62242819
2-hydrazinyl-N-(1-methylcyclopentyl)quinoline-4-carboxamide
CID 64688890
N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874
N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)quinoline-4-carboxamide
CID 62640042

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-hydrazinylquinoline-4-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-2-hydrazinylquinoline-4-carboxamide (CID 62241412) is N-(2-acetamidoethyl)-2-hydrazinylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-hydrazinylquinoline-4-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-hydrazinylquinoline-4-carboxamide is CC(=O)NCCNC(=O)c1cc(NN)nc2ccccc12.
What is the InChIKey of N-(2-acetamidoethyl)-2-hydrazinylquinoline-4-carboxamide?
The InChIKey is XRNZVLKHIOGSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9(20)16-6-7-17-14(21)11-8-13(19-15)18-12-5-3-2-4-10(11)12/h2-5,8H,6-7,15H2,1H3,(H,16,20)(H,17,21)(H,18,19).
What are the key properties of N-(2-acetamidoethyl)-2-hydrazinylquinoline-4-carboxamide?
N-(2-acetamidoethyl)-2-hydrazinylquinoline-4-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.39, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-hydrazinylquinoline-4-carboxamide is sourced from PubChem (CID 62241412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).