N-[2-(dimethylamino)ethyl]-2-hexoxyquinoline-4-carboxamide

C20H29N3O2 — CID 156634614

IUPACN-[2-(dimethylamino)ethyl]-2-hexoxyquinoline-4-carboxamide
SMILESCCCCCCOc1cc(C(=O)NCCN(C)C)c2ccccc2n1
InChIInChI=1S/C20H29N3O2/c1-4-5-6-9-14-25-19-15-17(20(24)21-12-13-23(2)3)16-10-7-8-11-18(16)22-19/h7-8,10-11,15H,4-6,9,12-14H2,1-3H3,(H,21,24)
InChIKeyRZWKVGPJXCHYFX-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.49
Rot. Bonds10

About N-[2-(dimethylamino)ethyl]-2-hexoxyquinoline-4-carboxamide

N-[2-(dimethylamino)ethyl]-2-hexoxyquinoline-4-carboxamide (PubChem CID 156634614) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-hexoxyquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-hexoxyquinoline-4-carboxamide
PubChem CID156634614
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[2-(dimethylamino)ethyl]-2-hexoxyquinoline-4-carboxamide
SMILESCCCCCCOc1cc(C(=O)NCCN(C)C)c2ccccc2n1
InChIInChI=1S/C20H29N3O2/c1-4-5-6-9-14-25-19-15-17(20(24)21-12-13-23(2)3)16-10-7-8-11-18(16)22-19/h7-8,10-11,15H,4-6,9,12-14H2,1-3H3,(H,21,24)
InChIKeyRZWKVGPJXCHYFX-UHFFFAOYSA-N
XLogP3.49
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-butoxyquinoline-4-carboxamide;ethane
CID 143047297
2-aminobenzoic acid;bis(2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide);dihydrochloride
CID 174871279
2-pentoxyquinoline-4-carbonyl chloride
CID 10423651
2-[2-(dimethylamino)ethoxy]-N-phenylquinoline-4-carboxamide
CID 152623988
2-[2-(dimethylamino)ethoxy]quinoline-4-carboxylic acid
CID 61104780
N-[2-(diethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)quinoline-4-carboxamide
CID 155529565
N-[2-(dimethylamino)ethyl]-2-(4-propylphenyl)quinoline-4-carboxamide
CID 1261381
N-[(2-hexoxyquinolin-4-yl)methyl]ethanamine
CID 63489674
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
N-butyl-2-chloroquinoline-4-carboxamide
CID 14813194
N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 2333756
2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]quinoline-4-carboxamide
CID 62640770

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-hexoxyquinoline-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-hexoxyquinoline-4-carboxamide (CID 156634614) is N-[2-(dimethylamino)ethyl]-2-hexoxyquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-hexoxyquinoline-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-hexoxyquinoline-4-carboxamide is CCCCCCOc1cc(C(=O)NCCN(C)C)c2ccccc2n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-hexoxyquinoline-4-carboxamide?
The InChIKey is RZWKVGPJXCHYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-4-5-6-9-14-25-19-15-17(20(24)21-12-13-23(2)3)16-10-7-8-11-18(16)22-19/h7-8,10-11,15H,4-6,9,12-14H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-hexoxyquinoline-4-carboxamide?
N-[2-(dimethylamino)ethyl]-2-hexoxyquinoline-4-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.49, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-hexoxyquinoline-4-carboxamide is sourced from PubChem (CID 156634614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).