1-[4-(6,7-difluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine

C22H20F2N2OS — CID 141424126

IUPAC1-[4-(6,7-difluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine
SMILESCOc1c(F)c(F)c2ncc3sccc3c2c1-c1ccc(C(C)N(C)C)cc1
InChIInChI=1S/C22H20F2N2OS/c1-12(26(2)3)13-5-7-14(8-6-13)17-18-15-9-10-28-16(15)11-25-21(18)19(23)20(24)22(17)27-4/h5-12H,1-4H3
InChIKeyGQBSGRDOJKPTKO-UHFFFAOYSA-N
MW398.48 g/mol
LogP6.03
Rot. Bonds4

About 1-[4-(6,7-difluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine

1-[4-(6,7-difluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine (PubChem CID 141424126) has the molecular formula C22H20F2N2OS and a molecular weight of 398.48 g/mol. Its IUPAC name is 1-[4-(6,7-difluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-[4-(6,7-difluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine
PubChem CID141424126
Molecular FormulaC22H20F2N2OS
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name1-[4-(6,7-difluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine
SMILESCOc1c(F)c(F)c2ncc3sccc3c2c1-c1ccc(C(C)N(C)C)cc1
InChIInChI=1S/C22H20F2N2OS/c1-12(26(2)3)13-5-7-14(8-6-13)17-18-15-9-10-28-16(15)11-25-21(18)19(23)20(24)22(17)27-4/h5-12H,1-4H3
InChIKeyGQBSGRDOJKPTKO-UHFFFAOYSA-N
XLogP6.03
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.48
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(6,7-difluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine with MolForge

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Related Compounds

6-Methoxy-3-thiophen-3-yl-quinoline
CID 10083051
10-Fluoro-4-methoxy-5-methyl[1]benzothieno[2,3-c]quinolin-5-ium
CID 1779948
11-Fluoro-4-methoxy-5-methyl[1]benzothieno[2,3-c]quinolin-5-ium
CID 3318667
9-Fluoro-4-methoxy-5-methyl[1]benzothieno[2,3-c]quinolin-5-ium
CID 4097776
9-[4-[1-(Dimethylamino)ethyl]phenyl]-6,7-difluorothieno[2,3-c]quinolin-8-ol
CID 67449244
9-[4-[2-(Dimethylamino)ethyl]phenyl]-6,7-difluorothieno[2,3-c]quinolin-8-ol
CID 67449245
N-(1,3-benzothiazol-5-ylmethyl)-1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-amine
CID 69656703
9-[4-(2-Aminoethyl)-3-fluorophenyl]-8-hydroxythieno[2,3-c]quinolin
CID 86689556
2-[2-Fluoro-4-(8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]propan-1-amine
CID 89675846
2-[2-Fluoro-4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]ethanamine
CID 89676082
9-[4-[1-(Dimethylamino)ethyl]phenyl]-6,7-difluorothieno[2,3-c]quinoline-1,8-diol
CID 123194939
9-[4-(Aminomethyl)phenyl]-6-fluoro-8-hydroxythieno[2,3-c]quinolin
CID 123680579

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-difluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine?
The IUPAC name of 1-[4-(6,7-difluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine (CID 141424126) is 1-[4-(6,7-difluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine.
What is the SMILES notation for 1-[4-(6,7-difluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine?
The canonical SMILES for 1-[4-(6,7-difluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine is COc1c(F)c(F)c2ncc3sccc3c2c1-c1ccc(C(C)N(C)C)cc1.
What is the InChIKey of 1-[4-(6,7-difluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine?
The InChIKey is GQBSGRDOJKPTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2OS/c1-12(26(2)3)13-5-7-14(8-6-13)17-18-15-9-10-28-16(15)11-25-21(18)19(23)20(24)22(17)27-4/h5-12H,1-4H3.
What are the key properties of 1-[4-(6,7-difluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine?
1-[4-(6,7-difluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine has a molecular weight of 398.48 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,7-difluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine is sourced from PubChem (CID 141424126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).