(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C23H21FN4O2S — CID 3207396

IUPAC(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCOc1ccc2cc3c(N)c(C(=O)N4CCN(c5ccc(F)cc5)CC4)sc3nc2c1
InChIInChI=1S/C23H21FN4O2S/c1-30-17-7-2-14-12-18-20(25)21(31-22(18)26-19(14)13-17)23(29)28-10-8-27(9-11-28)16-5-3-15(24)4-6-16/h2-7,12-13H,8-11,25H2,1H3
InChIKeyUKBWIXPFEDRDNE-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.14
Rot. Bonds3

About (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 3207396) has the molecular formula C23H21FN4O2S and a molecular weight of 436.51 g/mol. Its IUPAC name is (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID3207396
Molecular FormulaC23H21FN4O2S
Molecular Weight436.51 g/mol
Exact Mass436.14
IUPAC Name(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCOc1ccc2cc3c(N)c(C(=O)N4CCN(c5ccc(F)cc5)CC4)sc3nc2c1
InChIInChI=1S/C23H21FN4O2S/c1-30-17-7-2-14-12-18-20(25)21(31-22(18)26-19(14)13-17)23(29)28-10-8-27(9-11-28)16-5-3-15(24)4-6-16/h2-7,12-13H,8-11,25H2,1H3
InChIKeyUKBWIXPFEDRDNE-UHFFFAOYSA-N
XLogP4.14
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 3207396) is (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is COc1ccc2cc3c(N)c(C(=O)N4CCN(c5ccc(F)cc5)CC4)sc3nc2c1.
What is the InChIKey of (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is UKBWIXPFEDRDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2S/c1-30-17-7-2-14-12-18-20(25)21(31-22(18)26-19(14)13-17)23(29)28-10-8-27(9-11-28)16-5-3-15(24)4-6-16/h2-7,12-13H,8-11,25H2,1H3.
What are the key properties of (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 436.51 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 3207396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).