N-(3-amino-2,2-dimethylpropyl)-N-ethylquinoline-2-carboxamide

C17H23N3O — CID 79663389

IUPACN-(3-amino-2,2-dimethylpropyl)-N-ethylquinoline-2-carboxamide
SMILESCCN(CC(C)(C)CN)C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C17H23N3O/c1-4-20(12-17(2,3)11-18)16(21)15-10-9-13-7-5-6-8-14(13)19-15/h5-10H,4,11-12,18H2,1-3H3
InChIKeyQDSGTIWLIXSPKU-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.68
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N-ethylquinoline-2-carboxamide

N-(3-amino-2,2-dimethylpropyl)-N-ethylquinoline-2-carboxamide (PubChem CID 79663389) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-ethylquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-ethylquinoline-2-carboxamide
PubChem CID79663389
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-ethylquinoline-2-carboxamide
SMILESCCN(CC(C)(C)CN)C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C17H23N3O/c1-4-20(12-17(2,3)11-18)16(21)15-10-9-13-7-5-6-8-14(13)19-15/h5-10H,4,11-12,18H2,1-3H3
InChIKeyQDSGTIWLIXSPKU-UHFFFAOYSA-N
XLogP2.68
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)quinoline-2-carboxamide
CID 115365626
N-ethyl-N-methylquinoline-2-carboxamide
CID 19793658
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-hydroxybenzamide
CID 79668244
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-iodobenzamide
CID 79668481
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-hydroxybenzamide
CID 79667906
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]quinoline-2-carboxamide
CID 18115688
N-[2-(aminomethyl)-2-ethylbutyl]quinoline-2-carboxamide
CID 106250441
N-(3-amino-2,2-dimethylpropyl)-N-methylquinoxaline-2-carboxamide
CID 103807675
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-methyl-2-phenylpropanamide
CID 79668566
2-amino-1-quinolin-2-ylethanone
CID 23532024
7-chloro-N,N-diethylquinoline-2-carboxamide
CID 110490272
6-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
CID 79386284

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-ethylquinoline-2-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-ethylquinoline-2-carboxamide (CID 79663389) is N-(3-amino-2,2-dimethylpropyl)-N-ethylquinoline-2-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-ethylquinoline-2-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-ethylquinoline-2-carboxamide is CCN(CC(C)(C)CN)C(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-ethylquinoline-2-carboxamide?
The InChIKey is QDSGTIWLIXSPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-20(12-17(2,3)11-18)16(21)15-10-9-13-7-5-6-8-14(13)19-15/h5-10H,4,11-12,18H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-ethylquinoline-2-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-N-ethylquinoline-2-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-ethylquinoline-2-carboxamide is sourced from PubChem (CID 79663389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).