N-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]quinolin-2-amine

C17H19N3S — CID 62182225

IUPACN-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]quinolin-2-amine
SMILESCNc1nc2ccccc2cc1CN(C)Cc1ccsc1
InChIInChI=1S/C17H19N3S/c1-18-17-15(9-14-5-3-4-6-16(14)19-17)11-20(2)10-13-7-8-21-12-13/h3-9,12H,10-11H2,1-2H3,(H,18,19)
InChIKeyCFWWAZHUCBMRLV-UHFFFAOYSA-N
MW297.43 g/mol
LogP3.97
Rot. Bonds5

About N-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]quinolin-2-amine

N-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]quinolin-2-amine (PubChem CID 62182225) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is N-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]quinolin-2-amine.

Molecular Properties

Compound NameN-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]quinolin-2-amine
PubChem CID62182225
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC NameN-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]quinolin-2-amine
SMILESCNc1nc2ccccc2cc1CN(C)Cc1ccsc1
InChIInChI=1S/C17H19N3S/c1-18-17-15(9-14-5-3-4-6-16(14)19-17)11-20(2)10-13-7-8-21-12-13/h3-9,12H,10-11H2,1-2H3,(H,18,19)
InChIKeyCFWWAZHUCBMRLV-UHFFFAOYSA-N
XLogP3.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]quinolin-2-amine?
The IUPAC name of N-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]quinolin-2-amine (CID 62182225) is N-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]quinolin-2-amine.
What is the SMILES notation for N-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]quinolin-2-amine?
The canonical SMILES for N-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]quinolin-2-amine is CNc1nc2ccccc2cc1CN(C)Cc1ccsc1.
What is the InChIKey of N-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]quinolin-2-amine?
The InChIKey is CFWWAZHUCBMRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-18-17-15(9-14-5-3-4-6-16(14)19-17)11-20(2)10-13-7-8-21-12-13/h3-9,12H,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]quinolin-2-amine?
N-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]quinolin-2-amine has a molecular weight of 297.43 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]quinolin-2-amine is sourced from PubChem (CID 62182225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).