N-[5-(aminomethyl)-2-methylphenyl]-2-methylthieno[2,3-g]quinolin-8-amine

C20H19N3S — CID 156805033

IUPACN-[5-(aminomethyl)-2-methylphenyl]-2-methylthieno[2,3-g]quinolin-8-amine
SMILESCc1cc2cc3nccc(Nc4cc(CN)ccc4C)c3cc2s1
InChIInChI=1S/C20H19N3S/c1-12-3-4-14(11-21)8-18(12)23-17-5-6-22-19-9-15-7-13(2)24-20(15)10-16(17)19/h3-10H,11,21H2,1-2H3,(H,22,23)
InChIKeyIMIKFLFSAXPSEH-UHFFFAOYSA-N
MW333.46 g/mol
LogP5.27
Rot. Bonds3

About N-[5-(aminomethyl)-2-methylphenyl]-2-methylthieno[2,3-g]quinolin-8-amine

N-[5-(aminomethyl)-2-methylphenyl]-2-methylthieno[2,3-g]quinolin-8-amine (PubChem CID 156805033) has the molecular formula C20H19N3S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[5-(aminomethyl)-2-methylphenyl]-2-methylthieno[2,3-g]quinolin-8-amine.

Molecular Properties

Compound NameN-[5-(aminomethyl)-2-methylphenyl]-2-methylthieno[2,3-g]quinolin-8-amine
PubChem CID156805033
Molecular FormulaC20H19N3S
Molecular Weight333.46 g/mol
Exact Mass333.13
IUPAC NameN-[5-(aminomethyl)-2-methylphenyl]-2-methylthieno[2,3-g]quinolin-8-amine
SMILESCc1cc2cc3nccc(Nc4cc(CN)ccc4C)c3cc2s1
InChIInChI=1S/C20H19N3S/c1-12-3-4-14(11-21)8-18(12)23-17-5-6-22-19-9-15-7-13(2)24-20(15)10-16(17)19/h3-10H,11,21H2,1-2H3,(H,22,23)
InChIKeyIMIKFLFSAXPSEH-UHFFFAOYSA-N
XLogP5.27
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.46
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol
CID 174218840
N-[5-(aminomethyl)-2-methylphenyl]-2-methyl-1,1-dioxothieno[2,3-g]quinolin-8-amine
CID 156566120
N-(1,3-benzothiazol-5-yl)-2-methylthieno[2,3-g]quinolin-8-amine
CID 156805035
5-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]pyridin-3-ol
CID 174218847
2-fluoro-4-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol
CID 156804987
[4-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenyl]methanol
CID 123769637
5-fluoro-1-(2-methylthieno[2,3-g]quinolin-8-yl)indazol-3-amine
CID 156804996
ethyl 4-(5-hydroxy-2-methylanilino)quinoline-6-carboxylate
CID 58170411
5-(aminomethyl)-N-(2,5-dimethylphenyl)pyridin-2-amine
CID 82288074
N-[4-(aminomethyl)-2-fluorophenyl]-2,5-dimethylaniline
CID 82294319
3-[(6-dimethylphosphanylquinolin-4-yl)amino]-4-methylphenol
CID 165123425
4-(5-hydroxy-2-methylanilino)-N-(2-methylsulfonylethyl)quinoline-6-carboxamide
CID 54672856

Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)-2-methylphenyl]-2-methylthieno[2,3-g]quinolin-8-amine?
The IUPAC name of N-[5-(aminomethyl)-2-methylphenyl]-2-methylthieno[2,3-g]quinolin-8-amine (CID 156805033) is N-[5-(aminomethyl)-2-methylphenyl]-2-methylthieno[2,3-g]quinolin-8-amine.
What is the SMILES notation for N-[5-(aminomethyl)-2-methylphenyl]-2-methylthieno[2,3-g]quinolin-8-amine?
The canonical SMILES for N-[5-(aminomethyl)-2-methylphenyl]-2-methylthieno[2,3-g]quinolin-8-amine is Cc1cc2cc3nccc(Nc4cc(CN)ccc4C)c3cc2s1.
What is the InChIKey of N-[5-(aminomethyl)-2-methylphenyl]-2-methylthieno[2,3-g]quinolin-8-amine?
The InChIKey is IMIKFLFSAXPSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3S/c1-12-3-4-14(11-21)8-18(12)23-17-5-6-22-19-9-15-7-13(2)24-20(15)10-16(17)19/h3-10H,11,21H2,1-2H3,(H,22,23).
What are the key properties of N-[5-(aminomethyl)-2-methylphenyl]-2-methylthieno[2,3-g]quinolin-8-amine?
N-[5-(aminomethyl)-2-methylphenyl]-2-methylthieno[2,3-g]quinolin-8-amine has a molecular weight of 333.46 g/mol, XLogP of 5.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(aminomethyl)-2-methylphenyl]-2-methylthieno[2,3-g]quinolin-8-amine is sourced from PubChem (CID 156805033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).