(3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C23H21FN4OS — CID 1442746

IUPAC(3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1cccc2cc3c(N)c(C(=O)N4CCN(c5ccccc5F)CC4)sc3nc12
InChIInChI=1S/C23H21FN4OS/c1-14-5-4-6-15-13-16-19(25)21(30-22(16)26-20(14)15)23(29)28-11-9-27(10-12-28)18-8-3-2-7-17(18)24/h2-8,13H,9-12,25H2,1H3
InChIKeyUNCJJDYGUXCSQY-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.44
Rot. Bonds2

About (3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

(3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 1442746) has the molecular formula C23H21FN4OS and a molecular weight of 420.51 g/mol. Its IUPAC name is (3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID1442746
Molecular FormulaC23H21FN4OS
Molecular Weight420.51 g/mol
Exact Mass420.14
IUPAC Name(3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1cccc2cc3c(N)c(C(=O)N4CCN(c5ccccc5F)CC4)sc3nc12
InChIInChI=1S/C23H21FN4OS/c1-14-5-4-6-15-13-16-19(25)21(30-22(16)26-20(14)15)23(29)28-11-9-27(10-12-28)18-8-3-2-7-17(18)24/h2-8,13H,9-12,25H2,1H3
InChIKeyUNCJJDYGUXCSQY-UHFFFAOYSA-N
XLogP4.44
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 171133137
(3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 23915429
ethyl 3-amino-8-methylthieno[2,3-b]quinoline-2-carboxylate
CID 865150
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454
(2-amino-4-phenyl-1,3-thiazol-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 39115726
[4-(2-fluorophenyl)piperazin-1-yl]-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 42537522
(4-fluoro-3-methoxy-1-benzothiophen-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 50845694
[4-(2-fluorophenyl)piperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 39080857
(3-fluoro-4-methylphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 31113066
(3-amino-6,7-dimethylthieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone
CID 43812047
(5-fluoro-3-methoxy-1-benzothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 50846112
[4-(2-fluorophenyl)piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 26584846

Frequently Asked Questions

What is the IUPAC name of (3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 1442746) is (3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is Cc1cccc2cc3c(N)c(C(=O)N4CCN(c5ccccc5F)CC4)sc3nc12.
What is the InChIKey of (3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is UNCJJDYGUXCSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4OS/c1-14-5-4-6-15-13-16-19(25)21(30-22(16)26-20(14)15)23(29)28-11-9-27(10-12-28)18-8-3-2-7-17(18)24/h2-8,13H,9-12,25H2,1H3.
What are the key properties of (3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
(3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 420.51 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1442746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).