(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

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Related Compounds

VU0152100
CID 864492
3-Amino-N,6-bis(4-methoxyphenyl)-4-(trifluoromethyl)thieno(2,3-B)pyridine-2-carboxamide
CID 1283826
3-Amino-6-ethoxythiopheno[2,3-b]quinolin-2-yl morpholin-4-yl ketone
CID 1164074
(3-Amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)(4-methoxyphenyl)methanone
CID 2345204
5-amino-N-[4-(trifluoromethoxy)phenyl]-7-thia-1,9-diazatetracyclo[9.2.2.0^{2,10}.0^{4,8}]pentadeca-2(10),3,5,8-tetraene-6-carboxamide
CID 5297520
3-amino-N-(4-fluorophenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1002397
3-amino-6-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1002400
3-amino-N-(3-ethoxyphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1004107
N-(4-acetylphenyl)-3-amino-7-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 1015041
3-amino-6-ethyl-N-(2-(trifluoromethoxy)phenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 1508674
3-Amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 4778721
CID 155277574
CID 155277574

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).