N-methyl-3-(4-methyl-1,3-thiazol-2-yl)-3-quinolin-5-yloxypropan-1-amine

C17H19N3OS — CID 135145326

IUPACN-methyl-3-(4-methyl-1,3-thiazol-2-yl)-3-quinolin-5-yloxypropan-1-amine
SMILESCNCCC(Oc1cccc2ncccc12)c1nc(C)cs1
InChIInChI=1S/C17H19N3OS/c1-12-11-22-17(20-12)16(8-10-18-2)21-15-7-3-6-14-13(15)5-4-9-19-14/h3-7,9,11,16,18H,8,10H2,1-2H3
InChIKeyLIKXKZCGSBEXLL-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.73
Rot. Bonds6

About N-methyl-3-(4-methyl-1,3-thiazol-2-yl)-3-quinolin-5-yloxypropan-1-amine

N-methyl-3-(4-methyl-1,3-thiazol-2-yl)-3-quinolin-5-yloxypropan-1-amine (PubChem CID 135145326) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is N-methyl-3-(4-methyl-1,3-thiazol-2-yl)-3-quinolin-5-yloxypropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4-methyl-1,3-thiazol-2-yl)-3-quinolin-5-yloxypropan-1-amine
PubChem CID135145326
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC NameN-methyl-3-(4-methyl-1,3-thiazol-2-yl)-3-quinolin-5-yloxypropan-1-amine
SMILESCNCCC(Oc1cccc2ncccc12)c1nc(C)cs1
InChIInChI=1S/C17H19N3OS/c1-12-11-22-17(20-12)16(8-10-18-2)21-15-7-3-6-14-13(15)5-4-9-19-14/h3-7,9,11,16,18H,8,10H2,1-2H3
InChIKeyLIKXKZCGSBEXLL-UHFFFAOYSA-N
XLogP3.73
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methyl-1,3-thiazol-2-yl)-3-quinolin-5-yloxypropan-1-amine?
The IUPAC name of N-methyl-3-(4-methyl-1,3-thiazol-2-yl)-3-quinolin-5-yloxypropan-1-amine (CID 135145326) is N-methyl-3-(4-methyl-1,3-thiazol-2-yl)-3-quinolin-5-yloxypropan-1-amine.
What is the SMILES notation for N-methyl-3-(4-methyl-1,3-thiazol-2-yl)-3-quinolin-5-yloxypropan-1-amine?
The canonical SMILES for N-methyl-3-(4-methyl-1,3-thiazol-2-yl)-3-quinolin-5-yloxypropan-1-amine is CNCCC(Oc1cccc2ncccc12)c1nc(C)cs1.
What is the InChIKey of N-methyl-3-(4-methyl-1,3-thiazol-2-yl)-3-quinolin-5-yloxypropan-1-amine?
The InChIKey is LIKXKZCGSBEXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-12-11-22-17(20-12)16(8-10-18-2)21-15-7-3-6-14-13(15)5-4-9-19-14/h3-7,9,11,16,18H,8,10H2,1-2H3.
What are the key properties of N-methyl-3-(4-methyl-1,3-thiazol-2-yl)-3-quinolin-5-yloxypropan-1-amine?
N-methyl-3-(4-methyl-1,3-thiazol-2-yl)-3-quinolin-5-yloxypropan-1-amine has a molecular weight of 313.43 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methyl-1,3-thiazol-2-yl)-3-quinolin-5-yloxypropan-1-amine is sourced from PubChem (CID 135145326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).