N-[(5-chloroquinolin-8-yl)methyl]-1-(thian-2-yl)methanamine

C16H19ClN2S — CID 115959439

IUPACN-[(5-chloroquinolin-8-yl)methyl]-1-(thian-2-yl)methanamine
SMILESClc1ccc(CNCC2CCCCS2)c2ncccc12
InChIInChI=1S/C16H19ClN2S/c17-15-7-6-12(16-14(15)5-3-8-19-16)10-18-11-13-4-1-2-9-20-13/h3,5-8,13,18H,1-2,4,9-11H2
InChIKeyGXPKPTQKFJQPNN-UHFFFAOYSA-N
MW306.86 g/mol
LogP4.26
Rot. Bonds4

About N-[(5-chloroquinolin-8-yl)methyl]-1-(thian-2-yl)methanamine

N-[(5-chloroquinolin-8-yl)methyl]-1-(thian-2-yl)methanamine (PubChem CID 115959439) has the molecular formula C16H19ClN2S and a molecular weight of 306.86 g/mol. Its IUPAC name is N-[(5-chloroquinolin-8-yl)methyl]-1-(thian-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-chloroquinolin-8-yl)methyl]-1-(thian-2-yl)methanamine
PubChem CID115959439
Molecular FormulaC16H19ClN2S
Molecular Weight306.86 g/mol
Exact Mass306.10
IUPAC NameN-[(5-chloroquinolin-8-yl)methyl]-1-(thian-2-yl)methanamine
SMILESClc1ccc(CNCC2CCCCS2)c2ncccc12
InChIInChI=1S/C16H19ClN2S/c17-15-7-6-12(16-14(15)5-3-8-19-16)10-18-11-13-4-1-2-9-20-13/h3,5-8,13,18H,1-2,4,9-11H2
InChIKeyGXPKPTQKFJQPNN-UHFFFAOYSA-N
XLogP4.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.86
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-chloroquinolin-8-yl)methyl]-1-(thian-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-2-one
CID 115697510
N-[(5-chloroquinolin-8-yl)methyl]-2-methylcyclohexan-1-amine
CID 115958999
N-(naphthalen-1-ylmethyl)-1-(thian-2-yl)methanamine
CID 80594885
4-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120962551
N-[(2-chloro-5-fluorophenyl)methyl]-1-(thian-2-yl)methanamine
CID 102615818
N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-(thian-2-yl)methanamine
CID 82760463
(5-chloroquinolin-8-yl)methylhydrazine
CID 112617928
1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115697268
N-[(5-chloroquinolin-8-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115697528
4-[[(5-chloroquinolin-8-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380091
1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 115697462
N-[(1-methylindol-3-yl)methyl]-1-(thian-2-yl)methanamine
CID 107235936

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloroquinolin-8-yl)methyl]-1-(thian-2-yl)methanamine?
The IUPAC name of N-[(5-chloroquinolin-8-yl)methyl]-1-(thian-2-yl)methanamine (CID 115959439) is N-[(5-chloroquinolin-8-yl)methyl]-1-(thian-2-yl)methanamine.
What is the SMILES notation for N-[(5-chloroquinolin-8-yl)methyl]-1-(thian-2-yl)methanamine?
The canonical SMILES for N-[(5-chloroquinolin-8-yl)methyl]-1-(thian-2-yl)methanamine is Clc1ccc(CNCC2CCCCS2)c2ncccc12.
What is the InChIKey of N-[(5-chloroquinolin-8-yl)methyl]-1-(thian-2-yl)methanamine?
The InChIKey is GXPKPTQKFJQPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2S/c17-15-7-6-12(16-14(15)5-3-8-19-16)10-18-11-13-4-1-2-9-20-13/h3,5-8,13,18H,1-2,4,9-11H2.
What are the key properties of N-[(5-chloroquinolin-8-yl)methyl]-1-(thian-2-yl)methanamine?
N-[(5-chloroquinolin-8-yl)methyl]-1-(thian-2-yl)methanamine has a molecular weight of 306.86 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloroquinolin-8-yl)methyl]-1-(thian-2-yl)methanamine is sourced from PubChem (CID 115959439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).