[2-[2-(4-fluorophenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(furan-2-ylmethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[2-(4-hydroxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone

C66H64FN15O5S3 — CID 158646434

IUPAC[2-[2-(4-fluorophenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(furan-2-ylmethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[2-(4-hydroxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
SMILESO=C(c1cc2c(ccc3cnc(NCCc4ccc(F)cc4)nc32)s1)N1CCNCC1.O=C(c1cc2c(ccc3cnc(NCCc4ccc(O)cc4)nc32)s1)N1CCNCC1.O=C(c1cc2c(ccc3cnc(NCc4ccco4)nc32)s1)N1CCNCC1
InChIInChI=1S/C23H22FN5OS.C23H23N5O2S.C20H19N5O2S/c24-17-4-1-15(2-5-17)7-8-26-23-27-14-16-3-6-19-18(21(16)28-23)13-20(31-19)22(30)29-11-9-25-10-12-29;29-17-4-1-15(2-5-17)7-8-25-23-26-14-16-3-6-19-18(21(16)27-23)13-20(31-19)22(30)28-11-9-24-10-12-28;26-19(25-7-5-21-6-8-25)17-10-15-16(28-17)4-3-13-11-22-20(24-18(13)15)23-12-14-2-1-9-27-14/h1-6,13-14,25H,7-12H2,(H,26,27,28);1-6,13-14,24,29H,7-12H2,(H,25,26,27);1-4,9-11,21H,5-8,12H2,(H,22,23,24)
InChIKeyIBAJWMJXOHKJQC-UHFFFAOYSA-N
MW1262.54 g/mol
LogP10.03
Rot. Bonds14

About [2-[2-(4-fluorophenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(furan-2-ylmethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[2-(4-hydroxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone

[2-[2-(4-fluorophenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(furan-2-ylmethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[2-(4-hydroxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone (PubChem CID 158646434) has the molecular formula C66H64FN15O5S3 and a molecular weight of 1262.54 g/mol. Its IUPAC name is [2-[2-(4-fluorophenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(furan-2-ylmethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[2-(4-hydroxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-[2-(4-fluorophenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(furan-2-ylmethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[2-(4-hydroxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
PubChem CID158646434
Molecular FormulaC66H64FN15O5S3
Molecular Weight1262.54 g/mol
Exact Mass1261.44
IUPAC Name[2-[2-(4-fluorophenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(furan-2-ylmethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[2-(4-hydroxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
SMILESO=C(c1cc2c(ccc3cnc(NCCc4ccc(F)cc4)nc32)s1)N1CCNCC1.O=C(c1cc2c(ccc3cnc(NCCc4ccc(O)cc4)nc32)s1)N1CCNCC1.O=C(c1cc2c(ccc3cnc(NCc4ccco4)nc32)s1)N1CCNCC1
InChIInChI=1S/C23H22FN5OS.C23H23N5O2S.C20H19N5O2S/c24-17-4-1-15(2-5-17)7-8-26-23-27-14-16-3-6-19-18(21(16)28-23)13-20(31-19)22(30)29-11-9-25-10-12-29;29-17-4-1-15(2-5-17)7-8-25-23-26-14-16-3-6-19-18(21(16)27-23)13-20(31-19)22(30)28-11-9-24-10-12-28;26-19(25-7-5-21-6-8-25)17-10-15-16(28-17)4-3-13-11-22-20(24-18(13)15)23-12-14-2-1-9-27-14/h1-6,13-14,25H,7-12H2,(H,26,27,28);1-6,13-14,24,29H,7-12H2,(H,25,26,27);1-4,9-11,21H,5-8,12H2,(H,22,23,24)
InChIKeyIBAJWMJXOHKJQC-UHFFFAOYSA-N
XLogP10.03
TPSA243.82 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001262.54
LogP ≤ 510.03
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Analyze [2-[2-(4-fluorophenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(furan-2-ylmethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[2-(4-hydroxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone with MolForge

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Related Compounds

[2-(Furan-2-ylmethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
CID 59262723
[2-[2-(4-fluorophenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(furan-2-ylmethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[2-(4-hydroxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[2-(1H-imidazol-5-yl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;piperazin-1-yl-[2-(2-pyridin-2-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone
CID 157827203
(3-Aminopyrrolidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(benzylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(4-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone
CID 158558611
3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide;1-[4-[2-(3,5-dimethylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;N,N-dimethyl-12-(3-sulfamoylanilino)-8-oxa-5-thia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaene-4-carboxamide
CID 159023213
(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;2-(3-tert-butylanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;1-[4-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]-1,4-diazepan-1-yl]ethanone;1-[4-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone
CID 159196251
(5Z)-5-[[2-[4-[3-(1-benzofuran-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;N-[[1-[4-[(Z)-(3,5-dioxothiolan-2-ylidene)methyl]pyrimidin-2-yl]piperidin-4-yl]methyl]quinoline-2-carboxamide;(5Z)-5-[[2-[4-[[[3-fluoro-6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(2-fluoro-5-thiophen-3-ylphenyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(2-fluoro-6-thiophen-3-ylphenyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[1-(6-thiophen-3-yl-2-pyridinyl)ethylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 159797987
(3-Aminopyrrolidin-1-yl)-[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;(4-methylpiperazin-1-yl)-[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
CID 161297790
CID 161609445
CID 161609445
(3-Aminopyrrolidin-1-yl)-[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone;[2-(3-phenoxyanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
CID 162013647

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-fluorophenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(furan-2-ylmethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[2-(4-hydroxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?
The IUPAC name of [2-[2-(4-fluorophenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(furan-2-ylmethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[2-(4-hydroxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone (CID 158646434) is [2-[2-(4-fluorophenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(furan-2-ylmethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[2-(4-hydroxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-[2-(4-fluorophenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(furan-2-ylmethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[2-(4-hydroxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-[2-(4-fluorophenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(furan-2-ylmethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[2-(4-hydroxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone is O=C(c1cc2c(ccc3cnc(NCCc4ccc(F)cc4)nc32)s1)N1CCNCC1.O=C(c1cc2c(ccc3cnc(NCCc4ccc(O)cc4)nc32)s1)N1CCNCC1.O=C(c1cc2c(ccc3cnc(NCc4ccco4)nc32)s1)N1CCNCC1.
What is the InChIKey of [2-[2-(4-fluorophenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(furan-2-ylmethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[2-(4-hydroxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?
The InChIKey is IBAJWMJXOHKJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5OS.C23H23N5O2S.C20H19N5O2S/c24-17-4-1-15(2-5-17)7-8-26-23-27-14-16-3-6-19-18(21(16)28-23)13-20(31-19)22(30)29-11-9-25-10-12-29;29-17-4-1-15(2-5-17)7-8-25-23-26-14-16-3-6-19-18(21(16)27-23)13-20(31-19)22(30)28-11-9-24-10-12-28;26-19(25-7-5-21-6-8-25)17-10-15-16(28-17)4-3-13-11-22-20(24-18(13)15)23-12-14-2-1-9-27-14/h1-6,13-14,25H,7-12H2,(H,26,27,28);1-6,13-14,24,29H,7-12H2,(H,25,26,27);1-4,9-11,21H,5-8,12H2,(H,22,23,24).
What are the key properties of [2-[2-(4-fluorophenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(furan-2-ylmethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[2-(4-hydroxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?
[2-[2-(4-fluorophenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(furan-2-ylmethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[2-(4-hydroxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone has a molecular weight of 1262.54 g/mol, XLogP of 10.03, 14 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-fluorophenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-(furan-2-ylmethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[2-(4-hydroxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 158646434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).