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

C18H13FN2OS — CID 156804987

IUPAC2-fluoro-4-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol
SMILESCc1cc2cc3nccc(Nc4ccc(O)c(F)c4)c3cc2s1
InChIInChI=1S/C18H13FN2OS/c1-10-6-11-7-16-13(9-18(11)23-10)15(4-5-20-16)21-12-2-3-17(22)14(19)8-12/h2-9,22H,1H3,(H,20,21)
InChIKeyHDKSWZVEMITWBN-UHFFFAOYSA-N
MW324.38 g/mol
LogP5.35
Rot. Bonds2

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

2-fluoro-4-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol (PubChem CID 156804987) has the molecular formula C18H13FN2OS and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-fluoro-4-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol.

Molecular Properties

Compound Name2-fluoro-4-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol
PubChem CID156804987
Molecular FormulaC18H13FN2OS
Molecular Weight324.38 g/mol
Exact Mass324.07
IUPAC Name2-fluoro-4-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol
SMILESCc1cc2cc3nccc(Nc4ccc(O)c(F)c4)c3cc2s1
InChIInChI=1S/C18H13FN2OS/c1-10-6-11-7-16-13(9-18(11)23-10)15(4-5-20-16)21-12-2-3-17(22)14(19)8-12/h2-9,22H,1H3,(H,20,21)
InChIKeyHDKSWZVEMITWBN-UHFFFAOYSA-N
XLogP5.35
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

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
4-methyl-3-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol
CID 174218840
N-[5-(aminomethyl)-2-methylphenyl]-2-methylthieno[2,3-g]quinolin-8-amine
CID 156805033
2-fluoro-4-[(8-methylsulfonylquinolin-4-yl)amino]phenol
CID 118339789
2-methyl-5-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol
CID 44532338
N-(1,3-benzothiazol-5-yl)-2,3-dimethylthieno[2,3-g]quinolin-8-amine
CID 156804970
N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinolin-4-amine
CID 24999709
N-(4-chlorophenyl)-7-fluoroquinolin-4-amine
CID 71468200
2-[(tert-butylamino)methyl]-5-[(7-chloroquinolin-4-yl)amino]phenol;dihydrochloride
CID 51071988
5,6-difluoro-2-methyl-1-benzothiophene
CID 131029418
acetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine
CID 144507995

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol?
The IUPAC name of 2-fluoro-4-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol (CID 156804987) is 2-fluoro-4-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol.
What is the SMILES notation for 2-fluoro-4-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol?
The canonical SMILES for 2-fluoro-4-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol is Cc1cc2cc3nccc(Nc4ccc(O)c(F)c4)c3cc2s1.
What is the InChIKey of 2-fluoro-4-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol?
The InChIKey is HDKSWZVEMITWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2OS/c1-10-6-11-7-16-13(9-18(11)23-10)15(4-5-20-16)21-12-2-3-17(22)14(19)8-12/h2-9,22H,1H3,(H,20,21).
What are the key properties of 2-fluoro-4-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol?
2-fluoro-4-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol has a molecular weight of 324.38 g/mol, XLogP of 5.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol is sourced from PubChem (CID 156804987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).