N-[(5-chlorothiophen-2-yl)methyl]-2-quinolin-3-yloxyethanamine

C16H15ClN2OS — CID 107387936

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-quinolin-3-yloxyethanamine
SMILESClc1ccc(CNCCOc2cnc3ccccc3c2)s1
InChIInChI=1S/C16H15ClN2OS/c17-16-6-5-14(21-16)11-18-7-8-20-13-9-12-3-1-2-4-15(12)19-10-13/h1-6,9-10,18H,7-8,11H2
InChIKeyNOIQXOCXWGIDHS-UHFFFAOYSA-N
MW318.83 g/mol
LogP4.12
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-2-quinolin-3-yloxyethanamine

N-[(5-chlorothiophen-2-yl)methyl]-2-quinolin-3-yloxyethanamine (PubChem CID 107387936) has the molecular formula C16H15ClN2OS and a molecular weight of 318.83 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-quinolin-3-yloxyethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-quinolin-3-yloxyethanamine
PubChem CID107387936
Molecular FormulaC16H15ClN2OS
Molecular Weight318.83 g/mol
Exact Mass318.06
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-quinolin-3-yloxyethanamine
SMILESClc1ccc(CNCCOc2cnc3ccccc3c2)s1
InChIInChI=1S/C16H15ClN2OS/c17-16-6-5-14(21-16)11-18-7-8-20-13-9-12-3-1-2-4-15(12)19-10-13/h1-6,9-10,18H,7-8,11H2
InChIKeyNOIQXOCXWGIDHS-UHFFFAOYSA-N
XLogP4.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-quinolin-8-yloxyethyl)thiophene-2-carboxamide
CID 1811238
8-[(2-Chloro-5-thiazolyl)methoxy]quinoline
CID 1488829
5-(8-((3,5-Dichloropyridin-4-yl)methoxy)-2-methylquinolin-4-yl)thiazole
CID 44189792
8-(3,5-Dichloro-pyridin-4-ylmethoxy)-2-methyl-4-thiazol-2-yl-quinoline
CID 44190165
8-(3,5-Dichloro-pyridin-4-ylmethoxy)-2-methyl-4-(4-methyl-thiazol-5-yl)-quinoline
CID 44190166
4-(4-Chloro-thiazol-5-yl)-8-(3,5-dichloro-pyridin-4-ylmethoxy)-2-methyl-quinoline
CID 44190266
N'-(7-chloroquinolin-4-yl)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]ethane-1,2-diamine
CID 118728614
N'-(7-chloroquinolin-4-yl)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]propane-1,3-diamine
CID 118728615
2-quinolin-8-yloxy-N-(thiophen-2-ylmethyl)acetamide
CID 2094807
5-Chloro-8-[(2-chloro-1,3-thiazol-5-yl)methoxy]quinoline
CID 3604297
4-(4-Chlorophenoxy)thieno[2,3-c]pyridin-2-ylamine
CID 9814184
US10941138, Example 42
CID 135145287

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-quinolin-3-yloxyethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-quinolin-3-yloxyethanamine (CID 107387936) is N-[(5-chlorothiophen-2-yl)methyl]-2-quinolin-3-yloxyethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-quinolin-3-yloxyethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-quinolin-3-yloxyethanamine is Clc1ccc(CNCCOc2cnc3ccccc3c2)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-quinolin-3-yloxyethanamine?
The InChIKey is NOIQXOCXWGIDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2OS/c17-16-6-5-14(21-16)11-18-7-8-20-13-9-12-3-1-2-4-15(12)19-10-13/h1-6,9-10,18H,7-8,11H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-quinolin-3-yloxyethanamine?
N-[(5-chlorothiophen-2-yl)methyl]-2-quinolin-3-yloxyethanamine has a molecular weight of 318.83 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-quinolin-3-yloxyethanamine is sourced from PubChem (CID 107387936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).