2-(ethylamino)-N-(2-methylbutyl)quinoline-4-carboxamide

C17H23N3O — CID 62692096

IUPAC2-(ethylamino)-N-(2-methylbutyl)quinoline-4-carboxamide
SMILESCCNc1cc(C(=O)NCC(C)CC)c2ccccc2n1
InChIInChI=1S/C17H23N3O/c1-4-12(3)11-19-17(21)14-10-16(18-5-2)20-15-9-7-6-8-13(14)15/h6-10,12H,4-5,11H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyDVDSWLKMEYOJLF-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.44
Rot. Bonds6

About 2-(ethylamino)-N-(2-methylbutyl)quinoline-4-carboxamide

2-(ethylamino)-N-(2-methylbutyl)quinoline-4-carboxamide (PubChem CID 62692096) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(ethylamino)-N-(2-methylbutyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(2-methylbutyl)quinoline-4-carboxamide
PubChem CID62692096
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-(ethylamino)-N-(2-methylbutyl)quinoline-4-carboxamide
SMILESCCNc1cc(C(=O)NCC(C)CC)c2ccccc2n1
InChIInChI=1S/C17H23N3O/c1-4-12(3)11-19-17(21)14-10-16(18-5-2)20-15-9-7-6-8-13(14)15/h6-10,12H,4-5,11H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyDVDSWLKMEYOJLF-UHFFFAOYSA-N
XLogP3.44
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-N-pentan-2-ylquinoline-4-carboxamide
CID 62185765
2-(ethylamino)-N-(2-methylbutan-2-yl)quinoline-4-carboxamide
CID 62173209
N-[2-(dimethylamino)propyl]-2-hydrazinylquinoline-4-carboxamide
CID 62247663
2-(ethylamino)-N-(2-methoxyethyl)-N-methylquinoline-4-carboxamide
CID 62178126
N-[(2R,4S)-4-hydroxy-2-methylpentyl]-2-methylquinoline-4-carboxamide
CID 95775157
4-fluoro-N-(2-methylbutyl)naphthalene-1-carboxamide
CID 114088224
N-(2-methoxyethyl)-2-(propylamino)quinoline-4-carboxamide
CID 62170948
2-(ethylamino)-N-(1H-imidazol-2-yl)quinoline-4-carboxamide
CID 63563758
2-(2-aminopropylamino)quinoline-4-carboxamide
CID 63884670
2-[[(4-carbamoylquinolin-2-yl)amino]methyl]butanoic acid
CID 65226681
N-[2-(methylamino)propyl]-2-propan-2-ylquinoline-4-carboxamide
CID 120829996
2,4-dihydroxy-N-(2-methylbutyl)benzamide
CID 107722914

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(2-methylbutyl)quinoline-4-carboxamide?
The IUPAC name of 2-(ethylamino)-N-(2-methylbutyl)quinoline-4-carboxamide (CID 62692096) is 2-(ethylamino)-N-(2-methylbutyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-(2-methylbutyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-(2-methylbutyl)quinoline-4-carboxamide is CCNc1cc(C(=O)NCC(C)CC)c2ccccc2n1.
What is the InChIKey of 2-(ethylamino)-N-(2-methylbutyl)quinoline-4-carboxamide?
The InChIKey is DVDSWLKMEYOJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-12(3)11-19-17(21)14-10-16(18-5-2)20-15-9-7-6-8-13(14)15/h6-10,12H,4-5,11H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 2-(ethylamino)-N-(2-methylbutyl)quinoline-4-carboxamide?
2-(ethylamino)-N-(2-methylbutyl)quinoline-4-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(2-methylbutyl)quinoline-4-carboxamide is sourced from PubChem (CID 62692096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).