4-methyl-3-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol

C19H16N2OS — CID 174218840

IUPAC4-methyl-3-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol
SMILESCc1cc2cc3nccc(Nc4cc(O)ccc4C)c3cc2s1
InChIInChI=1S/C19H16N2OS/c1-11-3-4-14(22)9-17(11)21-16-5-6-20-18-8-13-7-12(2)23-19(13)10-15(16)18/h3-10,22H,1-2H3,(H,20,21)
InChIKeyBWZCEMQBMHSDGS-UHFFFAOYSA-N
MW320.42 g/mol
LogP5.52
Rot. Bonds2

About 4-methyl-3-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol

4-methyl-3-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol (PubChem CID 174218840) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 4-methyl-3-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol.

Molecular Properties

Compound Name4-methyl-3-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol
PubChem CID174218840
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC Name4-methyl-3-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol
SMILESCc1cc2cc3nccc(Nc4cc(O)ccc4C)c3cc2s1
InChIInChI=1S/C19H16N2OS/c1-11-3-4-14(22)9-17(11)21-16-5-6-20-18-8-13-7-12(2)23-19(13)10-15(16)18/h3-10,22H,1-2H3,(H,20,21)
InChIKeyBWZCEMQBMHSDGS-UHFFFAOYSA-N
XLogP5.52
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.42
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol?
The IUPAC name of 4-methyl-3-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol (CID 174218840) is 4-methyl-3-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol.
What is the SMILES notation for 4-methyl-3-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol?
The canonical SMILES for 4-methyl-3-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol is Cc1cc2cc3nccc(Nc4cc(O)ccc4C)c3cc2s1.
What is the InChIKey of 4-methyl-3-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol?
The InChIKey is BWZCEMQBMHSDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS/c1-11-3-4-14(22)9-17(11)21-16-5-6-20-18-8-13-7-12(2)23-19(13)10-15(16)18/h3-10,22H,1-2H3,(H,20,21).
What are the key properties of 4-methyl-3-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol?
4-methyl-3-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol has a molecular weight of 320.42 g/mol, XLogP of 5.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol is sourced from PubChem (CID 174218840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).