ethane;3-ethanimidoyl-4-(4-methoxyphenyl)sulfanylquinolin-2-amine

C20H23N3OS — CID 143214873

IUPACethane;3-ethanimidoyl-4-(4-methoxyphenyl)sulfanylquinolin-2-amine
SMILESCC.[H]/N=C(\C)c1c(N)nc2ccccc2c1Sc1ccc(OC)cc1
InChIInChI=1S/C18H17N3OS.C2H6/c1-11(19)16-17(23-13-9-7-12(22-2)8-10-13)14-5-3-4-6-15(14)21-18(16)20;1-2/h3-10,19H,1-2H3,(H2,20,21);1-2H3/b19-11+;
InChIKeyMNLXADYLHDYBJR-YLFUTEQJSA-N
MW353.49 g/mol
LogP5.39
Rot. Bonds4

About ethane;3-ethanimidoyl-4-(4-methoxyphenyl)sulfanylquinolin-2-amine

ethane;3-ethanimidoyl-4-(4-methoxyphenyl)sulfanylquinolin-2-amine (PubChem CID 143214873) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is ethane;3-ethanimidoyl-4-(4-methoxyphenyl)sulfanylquinolin-2-amine.

Molecular Properties

Compound Nameethane;3-ethanimidoyl-4-(4-methoxyphenyl)sulfanylquinolin-2-amine
PubChem CID143214873
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Nameethane;3-ethanimidoyl-4-(4-methoxyphenyl)sulfanylquinolin-2-amine
SMILESCC.[H]/N=C(\C)c1c(N)nc2ccccc2c1Sc1ccc(OC)cc1
InChIInChI=1S/C18H17N3OS.C2H6/c1-11(19)16-17(23-13-9-7-12(22-2)8-10-13)14-5-3-4-6-15(14)21-18(16)20;1-2/h3-10,19H,1-2H3,(H2,20,21);1-2H3/b19-11+;
InChIKeyMNLXADYLHDYBJR-YLFUTEQJSA-N
XLogP5.39
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.49
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;3-ethanimidoyl-4-(4-methoxyphenyl)sulfanylquinolin-2-amine?
The IUPAC name of ethane;3-ethanimidoyl-4-(4-methoxyphenyl)sulfanylquinolin-2-amine (CID 143214873) is ethane;3-ethanimidoyl-4-(4-methoxyphenyl)sulfanylquinolin-2-amine.
What is the SMILES notation for ethane;3-ethanimidoyl-4-(4-methoxyphenyl)sulfanylquinolin-2-amine?
The canonical SMILES for ethane;3-ethanimidoyl-4-(4-methoxyphenyl)sulfanylquinolin-2-amine is CC.[H]/N=C(\C)c1c(N)nc2ccccc2c1Sc1ccc(OC)cc1.
What is the InChIKey of ethane;3-ethanimidoyl-4-(4-methoxyphenyl)sulfanylquinolin-2-amine?
The InChIKey is MNLXADYLHDYBJR-YLFUTEQJSA-N. The full InChI is InChI=1S/C18H17N3OS.C2H6/c1-11(19)16-17(23-13-9-7-12(22-2)8-10-13)14-5-3-4-6-15(14)21-18(16)20;1-2/h3-10,19H,1-2H3,(H2,20,21);1-2H3/b19-11+;.
What are the key properties of ethane;3-ethanimidoyl-4-(4-methoxyphenyl)sulfanylquinolin-2-amine?
ethane;3-ethanimidoyl-4-(4-methoxyphenyl)sulfanylquinolin-2-amine has a molecular weight of 353.49 g/mol, XLogP of 5.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethanimidoyl-4-(4-methoxyphenyl)sulfanylquinolin-2-amine is sourced from PubChem (CID 143214873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).