4-hydrazinyl-N-methyl-N-pentylquinoline-2-carboxamide

C16H22N4O — CID 63375517

IUPAC4-hydrazinyl-N-methyl-N-pentylquinoline-2-carboxamide
SMILESCCCCCN(C)C(=O)c1cc(NN)c2ccccc2n1
InChIInChI=1S/C16H22N4O/c1-3-4-7-10-20(2)16(21)15-11-14(19-17)12-8-5-6-9-13(12)18-15/h5-6,8-9,11H,3-4,7,10,17H2,1-2H3,(H,18,19)
InChIKeyQYYYVOKBPYULCT-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.78
Rot. Bonds6

About 4-hydrazinyl-N-methyl-N-pentylquinoline-2-carboxamide

4-hydrazinyl-N-methyl-N-pentylquinoline-2-carboxamide (PubChem CID 63375517) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-hydrazinyl-N-methyl-N-pentylquinoline-2-carboxamide.

Molecular Properties

Compound Name4-hydrazinyl-N-methyl-N-pentylquinoline-2-carboxamide
PubChem CID63375517
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-hydrazinyl-N-methyl-N-pentylquinoline-2-carboxamide
SMILESCCCCCN(C)C(=O)c1cc(NN)c2ccccc2n1
InChIInChI=1S/C16H22N4O/c1-3-4-7-10-20(2)16(21)15-11-14(19-17)12-8-5-6-9-13(12)18-15/h5-6,8-9,11H,3-4,7,10,17H2,1-2H3,(H,18,19)
InChIKeyQYYYVOKBPYULCT-UHFFFAOYSA-N
XLogP2.78
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-hydrazinyl-N,N-dipropylquinoline-2-carboxamide
CID 63375200
4-chloro-N-methyl-N-pentylquinoline-2-carboxamide
CID 63376032
N-butyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide
CID 62234848
N-methyl-4-(methylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide
CID 115987219
N-(1-cyclopropylethyl)-4-hydrazinyl-N-methylquinoline-2-carboxamide
CID 63375607
N-hexan-3-yl-4-hydrazinylquinoline-2-carboxamide
CID 63375019
4-hydrazinyl-N-propan-2-ylquinoline-2-carboxamide
CID 63375107
N-butyl-N-methyl-2-phenylquinoline-4-carboxamide
CID 27702629
4-hydrazinyl-N-(3,3,3-trifluoropropyl)quinoline-2-carboxamide
CID 63375657
4-amino-N-(2-cyanoethyl)-N-methylquinoline-2-carboxamide
CID 63377285
N-[3-(dimethylamino)propyl]-4-(methylamino)quinoline-2-carboxamide
CID 63375251
4-amino-N-(2-amino-2-oxoethyl)-N-methylquinoline-2-carboxamide
CID 115349399

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-methyl-N-pentylquinoline-2-carboxamide?
The IUPAC name of 4-hydrazinyl-N-methyl-N-pentylquinoline-2-carboxamide (CID 63375517) is 4-hydrazinyl-N-methyl-N-pentylquinoline-2-carboxamide.
What is the SMILES notation for 4-hydrazinyl-N-methyl-N-pentylquinoline-2-carboxamide?
The canonical SMILES for 4-hydrazinyl-N-methyl-N-pentylquinoline-2-carboxamide is CCCCCN(C)C(=O)c1cc(NN)c2ccccc2n1.
What is the InChIKey of 4-hydrazinyl-N-methyl-N-pentylquinoline-2-carboxamide?
The InChIKey is QYYYVOKBPYULCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-4-7-10-20(2)16(21)15-11-14(19-17)12-8-5-6-9-13(12)18-15/h5-6,8-9,11H,3-4,7,10,17H2,1-2H3,(H,18,19).
What are the key properties of 4-hydrazinyl-N-methyl-N-pentylquinoline-2-carboxamide?
4-hydrazinyl-N-methyl-N-pentylquinoline-2-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-methyl-N-pentylquinoline-2-carboxamide is sourced from PubChem (CID 63375517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).