2-methyl-N-(2-phenylsulfanylethyl)quinolin-4-amine

C18H18N2S — CID 63535075

IUPAC2-methyl-N-(2-phenylsulfanylethyl)quinolin-4-amine
SMILESCc1cc(NCCSc2ccccc2)c2ccccc2n1
InChIInChI=1S/C18H18N2S/c1-14-13-18(16-9-5-6-10-17(16)20-14)19-11-12-21-15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,19,20)
InChIKeySVUXIRYOHGIMQV-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.75
Rot. Bonds5

About 2-methyl-N-(2-phenylsulfanylethyl)quinolin-4-amine

2-methyl-N-(2-phenylsulfanylethyl)quinolin-4-amine (PubChem CID 63535075) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-methyl-N-(2-phenylsulfanylethyl)quinolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(2-phenylsulfanylethyl)quinolin-4-amine
PubChem CID63535075
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name2-methyl-N-(2-phenylsulfanylethyl)quinolin-4-amine
SMILESCc1cc(NCCSc2ccccc2)c2ccccc2n1
InChIInChI=1S/C18H18N2S/c1-14-13-18(16-9-5-6-10-17(16)20-14)19-11-12-21-15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,19,20)
InChIKeySVUXIRYOHGIMQV-UHFFFAOYSA-N
XLogP4.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine);bis(N,N'-bis(2-methylquinolin-4-yl)dodecane-1,12-diamine);hydrate
CID 158378182
N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 46735889
N-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664297
N-(4-chlorobutyl)-2-methylquinolin-4-amine
CID 106845127
N-(2-chloro-2-phenylethyl)-2-methylquinolin-4-amine
CID 65027861
2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine
CID 54934838
N-(3-butoxypropyl)-2-methylquinolin-4-amine
CID 112810282
4-[2-[(2-methylquinolin-4-yl)amino]ethyl]phenol
CID 61238902
4-[(2-methylquinolin-4-yl)amino]butanoic acid
CID 43419953
2-[(2-methylquinolin-4-yl)amino]ethanesulfonamide
CID 43552334
2-methyl-N-(2-phenylpropyl)quinolin-4-amine
CID 104591691
2-chloro-N-(2-phenylsulfanylethyl)quinazolin-4-amine
CID 12827448

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-phenylsulfanylethyl)quinolin-4-amine?
The IUPAC name of 2-methyl-N-(2-phenylsulfanylethyl)quinolin-4-amine (CID 63535075) is 2-methyl-N-(2-phenylsulfanylethyl)quinolin-4-amine.
What is the SMILES notation for 2-methyl-N-(2-phenylsulfanylethyl)quinolin-4-amine?
The canonical SMILES for 2-methyl-N-(2-phenylsulfanylethyl)quinolin-4-amine is Cc1cc(NCCSc2ccccc2)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-(2-phenylsulfanylethyl)quinolin-4-amine?
The InChIKey is SVUXIRYOHGIMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-14-13-18(16-9-5-6-10-17(16)20-14)19-11-12-21-15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,19,20).
What are the key properties of 2-methyl-N-(2-phenylsulfanylethyl)quinolin-4-amine?
2-methyl-N-(2-phenylsulfanylethyl)quinolin-4-amine has a molecular weight of 294.42 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-phenylsulfanylethyl)quinolin-4-amine is sourced from PubChem (CID 63535075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).