N-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine

C18H19ClN2OS — CID 8558505

IUPACN-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine
SMILESCSc1ccc2cc(CN(C)Cc3ccc(C)o3)c(Cl)nc2c1
InChIInChI=1S/C18H19ClN2OS/c1-12-4-6-15(22-12)11-21(2)10-14-8-13-5-7-16(23-3)9-17(13)20-18(14)19/h4-9H,10-11H2,1-3H3
InChIKeyWSUUFJVYRLAGOV-UHFFFAOYSA-N
MW346.88 g/mol
LogP5.14
Rot. Bonds5

About N-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine

N-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine (PubChem CID 8558505) has the molecular formula C18H19ClN2OS and a molecular weight of 346.88 g/mol. Its IUPAC name is N-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine
PubChem CID8558505
Molecular FormulaC18H19ClN2OS
Molecular Weight346.88 g/mol
Exact Mass346.09
IUPAC NameN-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine
SMILESCSc1ccc2cc(CN(C)Cc3ccc(C)o3)c(Cl)nc2c1
InChIInChI=1S/C18H19ClN2OS/c1-12-4-6-15(22-12)11-21(2)10-14-8-13-5-7-16(23-3)9-17(13)20-18(14)19/h4-9H,10-11H2,1-3H3
InChIKeyWSUUFJVYRLAGOV-UHFFFAOYSA-N
XLogP5.14
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.88
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine with MolForge

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Related Compounds

N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]cyclopropanamine
CID 51119637
2-chloro-3-[(4-chlorophenyl)sulfanylmethyl]-7-methylsulfanylquinoline
CID 7434035
1-(4-bromo-2-chlorophenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 115598217
2-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl-methylamino]-N-(3-fluorophenyl)acetamide
CID 9348445
1,3-benzodioxol-5-ylmethyl-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]-methylazanium
CID 8748214
N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 16567687
1-(4-bromo-2-fluorophenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 60646293
3-fluoro-4-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]aniline
CID 64768655
2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]aniline
CID 43526030
(3R,4S)-N-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]-1-ethyl-N,3-dimethylpiperidin-4-amine
CID 96522113
N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-1-(4-ethylphenyl)-N-methylmethanamine
CID 16567666
2-chloro-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-7-methylsulfanylquinoline
CID 8006241

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine?
The IUPAC name of N-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine (CID 8558505) is N-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine.
What is the SMILES notation for N-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine?
The canonical SMILES for N-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine is CSc1ccc2cc(CN(C)Cc3ccc(C)o3)c(Cl)nc2c1.
What is the InChIKey of N-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine?
The InChIKey is WSUUFJVYRLAGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2OS/c1-12-4-6-15(22-12)11-21(2)10-14-8-13-5-7-16(23-3)9-17(13)20-18(14)19/h4-9H,10-11H2,1-3H3.
What are the key properties of N-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine?
N-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine has a molecular weight of 346.88 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine is sourced from PubChem (CID 8558505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).