N-ethyl-7-methoxy-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine

C16H22N2O2S — CID 62189480

IUPACN-ethyl-7-methoxy-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine
SMILESCCNc1nc2cc(OC)ccc2cc1CSCCOC
InChIInChI=1S/C16H22N2O2S/c1-4-17-16-13(11-21-8-7-19-2)9-12-5-6-14(20-3)10-15(12)18-16/h5-6,9-10H,4,7-8,11H2,1-3H3,(H,17,18)
InChIKeyRDOZADVMPQOLSB-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.55
Rot. Bonds8

About N-ethyl-7-methoxy-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine

N-ethyl-7-methoxy-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine (PubChem CID 62189480) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-ethyl-7-methoxy-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine.

Molecular Properties

Compound NameN-ethyl-7-methoxy-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine
PubChem CID62189480
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-ethyl-7-methoxy-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine
SMILESCCNc1nc2cc(OC)ccc2cc1CSCCOC
InChIInChI=1S/C16H22N2O2S/c1-4-17-16-13(11-21-8-7-19-2)9-12-5-6-14(20-3)10-15(12)18-16/h5-6,9-10H,4,7-8,11H2,1-3H3,(H,17,18)
InChIKeyRDOZADVMPQOLSB-UHFFFAOYSA-N
XLogP3.55
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-methoxy-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine?
The IUPAC name of N-ethyl-7-methoxy-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine (CID 62189480) is N-ethyl-7-methoxy-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine.
What is the SMILES notation for N-ethyl-7-methoxy-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine?
The canonical SMILES for N-ethyl-7-methoxy-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine is CCNc1nc2cc(OC)ccc2cc1CSCCOC.
What is the InChIKey of N-ethyl-7-methoxy-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine?
The InChIKey is RDOZADVMPQOLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-4-17-16-13(11-21-8-7-19-2)9-12-5-6-14(20-3)10-15(12)18-16/h5-6,9-10H,4,7-8,11H2,1-3H3,(H,17,18).
What are the key properties of N-ethyl-7-methoxy-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine?
N-ethyl-7-methoxy-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine has a molecular weight of 306.43 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-methoxy-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine is sourced from PubChem (CID 62189480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).