2-amino-N-[(2-methylthiolan-2-yl)methyl]quinoline-4-carboxamide

C16H19N3OS — CID 80743131

IUPAC2-amino-N-[(2-methylthiolan-2-yl)methyl]quinoline-4-carboxamide
SMILESCC1(CNC(=O)c2cc(N)nc3ccccc23)CCCS1
InChIInChI=1S/C16H19N3OS/c1-16(7-4-8-21-16)10-18-15(20)12-9-14(17)19-13-6-3-2-5-11(12)13/h2-3,5-6,9H,4,7-8,10H2,1H3,(H2,17,19)(H,18,20)
InChIKeyZJEBGSYDNXHGCL-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.83
Rot. Bonds3

About 2-amino-N-[(2-methylthiolan-2-yl)methyl]quinoline-4-carboxamide

2-amino-N-[(2-methylthiolan-2-yl)methyl]quinoline-4-carboxamide (PubChem CID 80743131) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-amino-N-[(2-methylthiolan-2-yl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(2-methylthiolan-2-yl)methyl]quinoline-4-carboxamide
PubChem CID80743131
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name2-amino-N-[(2-methylthiolan-2-yl)methyl]quinoline-4-carboxamide
SMILESCC1(CNC(=O)c2cc(N)nc3ccccc23)CCCS1
InChIInChI=1S/C16H19N3OS/c1-16(7-4-8-21-16)10-18-15(20)12-9-14(17)19-13-6-3-2-5-11(12)13/h2-3,5-6,9H,4,7-8,10H2,1H3,(H2,17,19)(H,18,20)
InChIKeyZJEBGSYDNXHGCL-UHFFFAOYSA-N
XLogP2.83
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(2-methylthiolan-2-yl)methyl]quinoline-4-carboxamide
CID 80524297
2-amino-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80725565
2-amino-5-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80726929
4-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide
CID 81245860
2-fluoro-4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 113355644
2-amino-N-(2,2-dimethylcyclopentyl)quinoline-4-carboxamide
CID 79869850
3-[[(2R)-2-methylthiolan-2-yl]methylcarbamoyl]benzoic acid
CID 124592899
2-amino-N-(2-methylsulfonylethyl)quinoline-4-carboxamide
CID 62152474
2-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide
CID 80528718
4-bromo-N-[(2-methylthiolan-2-yl)methyl]-2-sulfanylbenzamide
CID 107032909
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)quinoline-4-carboxamide
CID 106280040
2-amino-N-(2-sulfamoylethyl)quinoline-4-carboxamide
CID 62155502

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-methylthiolan-2-yl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-amino-N-[(2-methylthiolan-2-yl)methyl]quinoline-4-carboxamide (CID 80743131) is 2-amino-N-[(2-methylthiolan-2-yl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(2-methylthiolan-2-yl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-amino-N-[(2-methylthiolan-2-yl)methyl]quinoline-4-carboxamide is CC1(CNC(=O)c2cc(N)nc3ccccc23)CCCS1.
What is the InChIKey of 2-amino-N-[(2-methylthiolan-2-yl)methyl]quinoline-4-carboxamide?
The InChIKey is ZJEBGSYDNXHGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-16(7-4-8-21-16)10-18-15(20)12-9-14(17)19-13-6-3-2-5-11(12)13/h2-3,5-6,9H,4,7-8,10H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of 2-amino-N-[(2-methylthiolan-2-yl)methyl]quinoline-4-carboxamide?
2-amino-N-[(2-methylthiolan-2-yl)methyl]quinoline-4-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-methylthiolan-2-yl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 80743131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).