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

C15H19N3O — CID 115365626

IUPACN-(3-amino-2,2-dimethylpropyl)quinoline-2-carboxamide
SMILESCC(C)(CN)CNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C15H19N3O/c1-15(2,9-16)10-17-14(19)13-8-7-11-5-3-4-6-12(11)18-13/h3-8H,9-10,16H2,1-2H3,(H,17,19)
InChIKeyAIVUCSBNWUJREK-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.95
Rot. Bonds4

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

N-(3-amino-2,2-dimethylpropyl)quinoline-2-carboxamide (PubChem CID 115365626) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)quinoline-2-carboxamide
PubChem CID115365626
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(3-amino-2,2-dimethylpropyl)quinoline-2-carboxamide
SMILESCC(C)(CN)CNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C15H19N3O/c1-15(2,9-16)10-17-14(19)13-8-7-11-5-3-4-6-12(11)18-13/h3-8H,9-10,16H2,1-2H3,(H,17,19)
InChIKeyAIVUCSBNWUJREK-UHFFFAOYSA-N
XLogP1.95
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)-2-ethylbutyl]quinoline-2-carboxamide
CID 106250441
2-hydroxy-2-methyl-3-(quinoline-2-carbonylamino)propanoic acid
CID 66173370
N-(2-hydroxy-2-methylbutyl)quinoline-2-carboxamide
CID 65115019
N-(3-amino-2,2-dimethylpropyl)-N-ethylquinoline-2-carboxamide
CID 79663389
N-(4-amino-2-methylbutyl)quinoline-2-carboxamide
CID 66089499
N-(2-chlorobutyl)quinoline-2-carboxamide
CID 113492870
N-[(2-methylpropan-2-yl)oxy]quinoline-2-carboxamide
CID 82724716
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
N-(4-chloro-2-methylbutyl)quinoline-2-carboxamide
CID 114306159
N-(2-chloro-3-methoxypropyl)quinoline-2-carboxamide
CID 114298870
N-(2-oxoethyl)quinoline-2-carboxamide
CID 134322736

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)quinoline-2-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)quinoline-2-carboxamide (CID 115365626) is N-(3-amino-2,2-dimethylpropyl)quinoline-2-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)quinoline-2-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)quinoline-2-carboxamide is CC(C)(CN)CNC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)quinoline-2-carboxamide?
The InChIKey is AIVUCSBNWUJREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(2,9-16)10-17-14(19)13-8-7-11-5-3-4-6-12(11)18-13/h3-8H,9-10,16H2,1-2H3,(H,17,19).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)quinoline-2-carboxamide?
N-(3-amino-2,2-dimethylpropyl)quinoline-2-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)quinoline-2-carboxamide is sourced from PubChem (CID 115365626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).