2-amino-N-(oxan-3-ylmethyl)quinoline-4-carboxamide

C16H19N3O2 — CID 62160787

IUPAC2-amino-N-(oxan-3-ylmethyl)quinoline-4-carboxamide
SMILESNc1cc(C(=O)NCC2CCCOC2)c2ccccc2n1
InChIInChI=1S/C16H19N3O2/c17-15-8-13(12-5-1-2-6-14(12)19-15)16(20)18-9-11-4-3-7-21-10-11/h1-2,5-6,8,11H,3-4,7,9-10H2,(H2,17,19)(H,18,20)
InChIKeyOTKYFRGACJRNQX-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.97
Rot. Bonds3

About 2-amino-N-(oxan-3-ylmethyl)quinoline-4-carboxamide

2-amino-N-(oxan-3-ylmethyl)quinoline-4-carboxamide (PubChem CID 62160787) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-amino-N-(oxan-3-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(oxan-3-ylmethyl)quinoline-4-carboxamide
PubChem CID62160787
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-amino-N-(oxan-3-ylmethyl)quinoline-4-carboxamide
SMILESNc1cc(C(=O)NCC2CCCOC2)c2ccccc2n1
InChIInChI=1S/C16H19N3O2/c17-15-8-13(12-5-1-2-6-14(12)19-15)16(20)18-9-11-4-3-7-21-10-11/h1-2,5-6,8,11H,3-4,7,9-10H2,(H2,17,19)(H,18,20)
InChIKeyOTKYFRGACJRNQX-UHFFFAOYSA-N
XLogP1.97
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide
CID 114922848
2-amino-4,5-dimethoxy-N-(oxan-3-ylmethyl)benzamide
CID 61140420
4-amino-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 81240575
4-amino-2-chloro-N-(oxan-3-ylmethyl)benzamide
CID 61140038
5-amino-N-(oxan-3-ylmethyl)-1H-indole-3-carboxamide
CID 63116756
2-bromo-3-methyl-N-(oxan-3-ylmethyl)benzamide
CID 113338886
2-amino-N-(oxolan-3-ylmethyl)-5-phenylthiophene-3-carboxamide
CID 167495698
2-hydroxy-3-methyl-N-(oxan-3-ylmethyl)benzamide
CID 61073826
3-amino-2-nitro-N-(oxan-3-ylmethyl)benzamide
CID 115548779
2-amino-N-(2-sulfamoylethyl)quinoline-4-carboxamide
CID 62155502
N-[[(3R)-oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 94194267
2-amino-N-(2,2-dimethylcyclopentyl)quinoline-4-carboxamide
CID 79869850

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(oxan-3-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-amino-N-(oxan-3-ylmethyl)quinoline-4-carboxamide (CID 62160787) is 2-amino-N-(oxan-3-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-(oxan-3-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-amino-N-(oxan-3-ylmethyl)quinoline-4-carboxamide is Nc1cc(C(=O)NCC2CCCOC2)c2ccccc2n1.
What is the InChIKey of 2-amino-N-(oxan-3-ylmethyl)quinoline-4-carboxamide?
The InChIKey is OTKYFRGACJRNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-15-8-13(12-5-1-2-6-14(12)19-15)16(20)18-9-11-4-3-7-21-10-11/h1-2,5-6,8,11H,3-4,7,9-10H2,(H2,17,19)(H,18,20).
What are the key properties of 2-amino-N-(oxan-3-ylmethyl)quinoline-4-carboxamide?
2-amino-N-(oxan-3-ylmethyl)quinoline-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(oxan-3-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 62160787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).