2-(ethylamino)-N-(2-methylbutan-2-yl)quinoline-4-carboxamide

C17H23N3O — CID 62173209

IUPAC2-(ethylamino)-N-(2-methylbutan-2-yl)quinoline-4-carboxamide
SMILESCCNc1cc(C(=O)NC(C)(C)CC)c2ccccc2n1
InChIInChI=1S/C17H23N3O/c1-5-17(3,4)20-16(21)13-11-15(18-6-2)19-14-10-8-7-9-12(13)14/h7-11H,5-6H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyWKBWHIOTXGRXCZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.59
Rot. Bonds5

About 2-(ethylamino)-N-(2-methylbutan-2-yl)quinoline-4-carboxamide

2-(ethylamino)-N-(2-methylbutan-2-yl)quinoline-4-carboxamide (PubChem CID 62173209) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(ethylamino)-N-(2-methylbutan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(2-methylbutan-2-yl)quinoline-4-carboxamide
PubChem CID62173209
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-(ethylamino)-N-(2-methylbutan-2-yl)quinoline-4-carboxamide
SMILESCCNc1cc(C(=O)NC(C)(C)CC)c2ccccc2n1
InChIInChI=1S/C17H23N3O/c1-5-17(3,4)20-16(21)13-11-15(18-6-2)19-14-10-8-7-9-12(13)14/h7-11H,5-6H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyWKBWHIOTXGRXCZ-UHFFFAOYSA-N
XLogP3.59
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.59
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-methylbutyl)quinoline-4-carboxamide
CID 62692096
2-(ethylamino)-N-(1H-imidazol-2-yl)quinoline-4-carboxamide
CID 63563758
2-(ethylamino)-N-(2-methoxyethyl)-N-methylquinoline-4-carboxamide
CID 62178126
N-(1-amino-2-methylpropan-2-yl)-2-methylquinoline-4-carboxamide
CID 63193778
3-methyl-3-[(2-methylquinoline-4-carbonyl)amino]butanoic acid
CID 64672068
1-(ethylamino)-N-(2-methylbutan-2-yl)isoquinoline-4-carboxamide
CID 106770044
N-(2-cyclopropylpropan-2-yl)-2-(methylamino)quinoline-4-carboxamide
CID 103718280
2-(2-methylbutan-2-ylamino)quinoline-4-carbothioamide
CID 63885317
2-(ethylamino)-N-(4-morpholin-4-ylphenyl)quinoline-4-carboxamide
CID 117089575
2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)quinoline-4-carboxamide
CID 64551167
2-[(3-hydroxy-2,2-dimethylpropyl)amino]quinoline-4-carboxylic acid
CID 115360551

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(2-methylbutan-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(ethylamino)-N-(2-methylbutan-2-yl)quinoline-4-carboxamide (CID 62173209) is 2-(ethylamino)-N-(2-methylbutan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-(2-methylbutan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-(2-methylbutan-2-yl)quinoline-4-carboxamide is CCNc1cc(C(=O)NC(C)(C)CC)c2ccccc2n1.
What is the InChIKey of 2-(ethylamino)-N-(2-methylbutan-2-yl)quinoline-4-carboxamide?
The InChIKey is WKBWHIOTXGRXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-17(3,4)20-16(21)13-11-15(18-6-2)19-14-10-8-7-9-12(13)14/h7-11H,5-6H2,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 2-(ethylamino)-N-(2-methylbutan-2-yl)quinoline-4-carboxamide?
2-(ethylamino)-N-(2-methylbutan-2-yl)quinoline-4-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(2-methylbutan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 62173209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).