[5-[(5-chloroquinolin-8-yl)oxymethyl]thiophen-2-yl]methanamine

C15H13ClN2OS — CID 107558658

IUPAC[5-[(5-chloroquinolin-8-yl)oxymethyl]thiophen-2-yl]methanamine
SMILESNCc1ccc(COc2ccc(Cl)c3cccnc23)s1
InChIInChI=1S/C15H13ClN2OS/c16-13-5-6-14(15-12(13)2-1-7-18-15)19-9-11-4-3-10(8-17)20-11/h1-7H,8-9,17H2
InChIKeyPNZPRESUJALSCA-UHFFFAOYSA-N
MW304.80 g/mol
LogP3.99
Rot. Bonds4

About [5-[(5-chloroquinolin-8-yl)oxymethyl]thiophen-2-yl]methanamine

[5-[(5-chloroquinolin-8-yl)oxymethyl]thiophen-2-yl]methanamine (PubChem CID 107558658) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is [5-[(5-chloroquinolin-8-yl)oxymethyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(5-chloroquinolin-8-yl)oxymethyl]thiophen-2-yl]methanamine
PubChem CID107558658
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC Name[5-[(5-chloroquinolin-8-yl)oxymethyl]thiophen-2-yl]methanamine
SMILESNCc1ccc(COc2ccc(Cl)c3cccnc23)s1
InChIInChI=1S/C15H13ClN2OS/c16-13-5-6-14(15-12(13)2-1-7-18-15)19-9-11-4-3-10(8-17)20-11/h1-7H,8-9,17H2
InChIKeyPNZPRESUJALSCA-UHFFFAOYSA-N
XLogP3.99
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-chloroquinolin-8-yl)oxypentan-1-amine
CID 54965610
2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-benzothiazole
CID 8537265
[2-(5-chloroquinolin-8-yl)-1,3-thiazol-5-yl]methanamine
CID 112618307
5-chloro-8-(6-chlorohexoxy)quinoline
CID 55193642
5-chloro-8-(5-chloropentoxy)quinoline
CID 43348411
CID 12945983
CID 12945983
5-chloro-8-(imidazo[1,2-a]pyridin-2-ylmethoxy)quinoline
CID 804228
[3-(5-chloroquinolin-8-yl)oxypyridazin-4-yl]methanamine
CID 80507747
[3-bromo-4-(5-chloroquinolin-8-yl)oxyphenyl]methanamine
CID 82784965
[2-(5-chloroquinolin-8-yl)oxy-5-fluorophenyl]methanamine
CID 43314287
2-(5-chloroquinolin-8-yl)oxy-3,3,3-trifluoropropan-1-amine
CID 43752905
1-[5-[(5-chloroquinolin-8-yl)oxymethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120855059

Frequently Asked Questions

What is the IUPAC name of [5-[(5-chloroquinolin-8-yl)oxymethyl]thiophen-2-yl]methanamine?
The IUPAC name of [5-[(5-chloroquinolin-8-yl)oxymethyl]thiophen-2-yl]methanamine (CID 107558658) is [5-[(5-chloroquinolin-8-yl)oxymethyl]thiophen-2-yl]methanamine.
What is the SMILES notation for [5-[(5-chloroquinolin-8-yl)oxymethyl]thiophen-2-yl]methanamine?
The canonical SMILES for [5-[(5-chloroquinolin-8-yl)oxymethyl]thiophen-2-yl]methanamine is NCc1ccc(COc2ccc(Cl)c3cccnc23)s1.
What is the InChIKey of [5-[(5-chloroquinolin-8-yl)oxymethyl]thiophen-2-yl]methanamine?
The InChIKey is PNZPRESUJALSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c16-13-5-6-14(15-12(13)2-1-7-18-15)19-9-11-4-3-10(8-17)20-11/h1-7H,8-9,17H2.
What are the key properties of [5-[(5-chloroquinolin-8-yl)oxymethyl]thiophen-2-yl]methanamine?
[5-[(5-chloroquinolin-8-yl)oxymethyl]thiophen-2-yl]methanamine has a molecular weight of 304.80 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-chloroquinolin-8-yl)oxymethyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 107558658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).