N-[(8-methoxyquinolin-2-yl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine

C15H16N2O3S — CID 80702693

IUPACN-[(8-methoxyquinolin-2-yl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESCOc1cccc2ccc(CNC3C=CS(=O)(=O)C3)nc12
InChIInChI=1S/C15H16N2O3S/c1-20-14-4-2-3-11-5-6-12(17-15(11)14)9-16-13-7-8-21(18,19)10-13/h2-8,13,16H,9-10H2,1H3
InChIKeyPLDPTXCGGMHAPV-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.64
Rot. Bonds4

About N-[(8-methoxyquinolin-2-yl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine

N-[(8-methoxyquinolin-2-yl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine (PubChem CID 80702693) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[(8-methoxyquinolin-2-yl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound NameN-[(8-methoxyquinolin-2-yl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine
PubChem CID80702693
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-[(8-methoxyquinolin-2-yl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESCOc1cccc2ccc(CNC3C=CS(=O)(=O)C3)nc12
InChIInChI=1S/C15H16N2O3S/c1-20-14-4-2-3-11-5-6-12(17-15(11)14)9-16-13-7-8-21(18,19)10-13/h2-8,13,16H,9-10H2,1H3
InChIKeyPLDPTXCGGMHAPV-UHFFFAOYSA-N
XLogP1.64
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(8-methoxyquinolin-2-yl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(8-methoxyquinolin-2-yl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The IUPAC name of N-[(8-methoxyquinolin-2-yl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine (CID 80702693) is N-[(8-methoxyquinolin-2-yl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for N-[(8-methoxyquinolin-2-yl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The canonical SMILES for N-[(8-methoxyquinolin-2-yl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine is COc1cccc2ccc(CNC3C=CS(=O)(=O)C3)nc12.
What is the InChIKey of N-[(8-methoxyquinolin-2-yl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The InChIKey is PLDPTXCGGMHAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-20-14-4-2-3-11-5-6-12(17-15(11)14)9-16-13-7-8-21(18,19)10-13/h2-8,13,16H,9-10H2,1H3.
What are the key properties of N-[(8-methoxyquinolin-2-yl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine?
N-[(8-methoxyquinolin-2-yl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine has a molecular weight of 304.37 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methoxyquinolin-2-yl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 80702693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).