N-[2-(dimethylamino)quinolin-4-yl]hexanamide

C17H23N3O — CID 2831764

IUPACN-[2-(dimethylamino)quinolin-4-yl]hexanamide
SMILESCCCCCC(=O)Nc1cc(N(C)C)nc2ccccc12
InChIInChI=1S/C17H23N3O/c1-4-5-6-11-17(21)19-15-12-16(20(2)3)18-14-10-8-7-9-13(14)15/h7-10,12H,4-6,11H2,1-3H3,(H,18,19,21)
InChIKeyMOGWQKYCKKYTOM-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.82
Rot. Bonds6

About N-[2-(dimethylamino)quinolin-4-yl]hexanamide

N-[2-(dimethylamino)quinolin-4-yl]hexanamide (PubChem CID 2831764) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)quinolin-4-yl]hexanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)quinolin-4-yl]hexanamide
PubChem CID2831764
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[2-(dimethylamino)quinolin-4-yl]hexanamide
SMILESCCCCCC(=O)Nc1cc(N(C)C)nc2ccccc12
InChIInChI=1S/C17H23N3O/c1-4-5-6-11-17(21)19-15-12-16(20(2)3)18-14-10-8-7-9-13(14)15/h7-10,12H,4-6,11H2,1-3H3,(H,18,19,21)
InChIKeyMOGWQKYCKKYTOM-UHFFFAOYSA-N
XLogP3.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)quinolin-4-yl]hexanamide?
The IUPAC name of N-[2-(dimethylamino)quinolin-4-yl]hexanamide (CID 2831764) is N-[2-(dimethylamino)quinolin-4-yl]hexanamide.
What is the SMILES notation for N-[2-(dimethylamino)quinolin-4-yl]hexanamide?
The canonical SMILES for N-[2-(dimethylamino)quinolin-4-yl]hexanamide is CCCCCC(=O)Nc1cc(N(C)C)nc2ccccc12.
What is the InChIKey of N-[2-(dimethylamino)quinolin-4-yl]hexanamide?
The InChIKey is MOGWQKYCKKYTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-5-6-11-17(21)19-15-12-16(20(2)3)18-14-10-8-7-9-13(14)15/h7-10,12H,4-6,11H2,1-3H3,(H,18,19,21).
What are the key properties of N-[2-(dimethylamino)quinolin-4-yl]hexanamide?
N-[2-(dimethylamino)quinolin-4-yl]hexanamide has a molecular weight of 285.39 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)quinolin-4-yl]hexanamide is sourced from PubChem (CID 2831764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).