N-hexan-3-yl-4-hydrazinylquinoline-2-carboxamide

C16H22N4O — CID 63375019

IUPACN-hexan-3-yl-4-hydrazinylquinoline-2-carboxamide
SMILESCCCC(CC)NC(=O)c1cc(NN)c2ccccc2n1
InChIInChI=1S/C16H22N4O/c1-3-7-11(4-2)18-16(21)15-10-14(20-17)12-8-5-6-9-13(12)19-15/h5-6,8-11H,3-4,7,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyGJZZWMBFMVVJAS-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.83
Rot. Bonds6

About N-hexan-3-yl-4-hydrazinylquinoline-2-carboxamide

N-hexan-3-yl-4-hydrazinylquinoline-2-carboxamide (PubChem CID 63375019) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-hexan-3-yl-4-hydrazinylquinoline-2-carboxamide.

Molecular Properties

Compound NameN-hexan-3-yl-4-hydrazinylquinoline-2-carboxamide
PubChem CID63375019
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-hexan-3-yl-4-hydrazinylquinoline-2-carboxamide
SMILESCCCC(CC)NC(=O)c1cc(NN)c2ccccc2n1
InChIInChI=1S/C16H22N4O/c1-3-7-11(4-2)18-16(21)15-10-14(20-17)12-8-5-6-9-13(12)19-15/h5-6,8-11H,3-4,7,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyGJZZWMBFMVVJAS-UHFFFAOYSA-N
XLogP2.83
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-hexan-3-yl-4-hydrazinylquinoline-2-carboxamide?
The IUPAC name of N-hexan-3-yl-4-hydrazinylquinoline-2-carboxamide (CID 63375019) is N-hexan-3-yl-4-hydrazinylquinoline-2-carboxamide.
What is the SMILES notation for N-hexan-3-yl-4-hydrazinylquinoline-2-carboxamide?
The canonical SMILES for N-hexan-3-yl-4-hydrazinylquinoline-2-carboxamide is CCCC(CC)NC(=O)c1cc(NN)c2ccccc2n1.
What is the InChIKey of N-hexan-3-yl-4-hydrazinylquinoline-2-carboxamide?
The InChIKey is GJZZWMBFMVVJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-7-11(4-2)18-16(21)15-10-14(20-17)12-8-5-6-9-13(12)19-15/h5-6,8-11H,3-4,7,17H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-hexan-3-yl-4-hydrazinylquinoline-2-carboxamide?
N-hexan-3-yl-4-hydrazinylquinoline-2-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-4-hydrazinylquinoline-2-carboxamide is sourced from PubChem (CID 63375019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).