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

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Related Compounds

N-[(6-bromo-2-pyridinyl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 112582461
N-[(8-methoxyquinolin-2-yl)methyl]oxan-4-amine
CID 80702551
N-[(8-methoxyquinolin-2-yl)methyl]-2-methylcyclohexan-1-amine
CID 80702031
N-[(8-methoxyquinolin-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 80701799
1,1-dioxo-N-[(2,4,5-trimethoxyphenyl)methyl]-2,3-dihydrothiophen-3-amine
CID 60694676
2-methoxy-N-[(8-methoxyquinolin-2-yl)methyl]-2-methylpropan-1-amine
CID 104759612
2-[(8-methoxyquinolin-2-yl)methylamino]oxyacetamide
CID 112673314
2-[(8-methoxyquinolin-2-yl)methylamino]ethanesulfonamide
CID 80702043
N-[(8-methoxyquinolin-2-yl)methyl]-3-methylpentan-3-amine
CID 106328471
N-[(8-methoxyquinolin-2-yl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107417660
N-[(8-methoxyquinolin-2-yl)methyl]-2-methylbutan-1-amine
CID 80703435
2-[2-[(8-methoxyquinolin-2-yl)methylamino]ethoxy]acetamide
CID 106236592

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).