2-(3-acetamidoanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;2-(3,5-dimethylanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;[2-(3,5-dimethylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide

C109H104N26O9S6 — CID 158381432

IUPAC2-(3-acetamidoanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;2-(3,5-dimethylanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;[2-(3,5-dimethylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncc3ccc4sc(C(=O)N(C)C)cc4c3n2)c1.CC(=O)Nc1cccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)c1.Cc1cc(C)cc(Nc2ncc3ccc4sc(C(=O)N(C)C)cc4c3n2)c1.Cc1cc(C)cc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)c1.NS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)c1
InChIInChI=1S/C23H22N6O2S.C23H23N5OS.C21H20N6O3S2.C21H19N5O2S.C21H20N4OS/c1-14(30)26-16-3-2-4-17(11-16)27-23-25-13-15-5-6-19-18(21(15)28-23)12-20(32-19)22(31)29-9-7-24-8-10-29;1-14-9-15(2)11-17(10-14)26-23-25-13-16-3-4-19-18(21(16)27-23)12-20(30-19)22(29)28-7-5-24-6-8-28;22-32(29,30)15-3-1-2-14(10-15)25-21-24-12-13-4-5-17-16(19(13)26-21)11-18(31-17)20(28)27-8-6-23-7-9-27;1-12(27)23-14-5-4-6-15(9-14)24-21-22-11-13-7-8-17-16(19(13)25-21)10-18(29-17)20(28)26(2)3;1-12-7-13(2)9-15(8-12)23-21-22-11-14-5-6-17-16(19(14)24-21)10-18(27-17)20(26)25(3)4/h2-6,11-13,24H,7-10H2,1H3,(H,26,30)(H,25,27,28);3-4,9-13,24H,5-8H2,1-2H3,(H,25,26,27);1-5,10-12,23H,6-9H2,(H2,22,29,30)(H,24,25,26);4-11H,1-3H3,(H,23,27)(H,22,24,25);5-11H,1-4H3,(H,22,23,24)
InChIKeyGVVIRUDCNKONBF-UHFFFAOYSA-N
MW2114.61 g/mol
LogP19.28
Rot. Bonds18

About 2-(3-acetamidoanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;2-(3,5-dimethylanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;[2-(3,5-dimethylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide

2-(3-acetamidoanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;2-(3,5-dimethylanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;[2-(3,5-dimethylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide (PubChem CID 158381432) has the molecular formula C109H104N26O9S6 and a molecular weight of 2114.61 g/mol. Its IUPAC name is 2-(3-acetamidoanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;2-(3,5-dimethylanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;[2-(3,5-dimethylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-acetamidoanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;2-(3,5-dimethylanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;[2-(3,5-dimethylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide
PubChem CID158381432
Molecular FormulaC109H104N26O9S6
Molecular Weight2114.61 g/mol
Exact Mass2112.68
IUPAC Name2-(3-acetamidoanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;2-(3,5-dimethylanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;[2-(3,5-dimethylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncc3ccc4sc(C(=O)N(C)C)cc4c3n2)c1.CC(=O)Nc1cccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)c1.Cc1cc(C)cc(Nc2ncc3ccc4sc(C(=O)N(C)C)cc4c3n2)c1.Cc1cc(C)cc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)c1.NS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)c1
InChIInChI=1S/C23H22N6O2S.C23H23N5OS.C21H20N6O3S2.C21H19N5O2S.C21H20N4OS/c1-14(30)26-16-3-2-4-17(11-16)27-23-25-13-15-5-6-19-18(21(15)28-23)12-20(32-19)22(31)29-9-7-24-8-10-29;1-14-9-15(2)11-17(10-14)26-23-25-13-16-3-4-19-18(21(16)27-23)12-20(30-19)22(29)28-7-5-24-6-8-28;22-32(29,30)15-3-1-2-14(10-15)25-21-24-12-13-4-5-17-16(19(13)26-21)11-18(31-17)20(28)27-8-6-23-7-9-27;1-12(27)23-14-5-4-6-15(9-14)24-21-22-11-13-7-8-17-16(19(13)25-21)10-18(29-17)20(28)26(2)3;1-12-7-13(2)9-15(8-12)23-21-22-11-14-5-6-17-16(19(14)24-21)10-18(27-17)20(26)25(3)4/h2-6,11-13,24H,7-10H2,1H3,(H,26,30)(H,25,27,28);3-4,9-13,24H,5-8H2,1-2H3,(H,25,26,27);1-5,10-12,23H,6-9H2,(H2,22,29,30)(H,24,25,26);4-11H,1-3H3,(H,23,27)(H,22,24,25);5-11H,1-4H3,(H,22,23,24)
InChIKeyGVVIRUDCNKONBF-UHFFFAOYSA-N
XLogP19.28
TPSA445.05 Ų
H-Bond Donors11
H-Bond Acceptors32
Rotatable Bonds18
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002114.61
LogP ≤ 519.28
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1032

Analyze 2-(3-acetamidoanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;2-(3,5-dimethylanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;[2-(3,5-dimethylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide with MolForge

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Related Compounds

1-[4-[2-(3,5-Dimethylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone
CID 59262607
Piperazin-1-yl-[2-(3-propan-2-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone
CID 59262621
3-[[8-(4-Methylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide
CID 59262631
N-[3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide
CID 59262632
Piperazin-1-yl-[2-(3-pyridin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone
CID 59262633
3-[[8-(4-Acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide
CID 59262641
3-[[8-(4-Aminopiperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide
CID 59262643
3-[[8-(Piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide
CID 59262654
tert-butyl N-[1-[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]carbamate
CID 59262655
[2-(3,5-Dimethylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
CID 59262669
[2-[3-(2-Methylphenyl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
CID 59262672
Tert-butyl 4-[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazine-1-carboxylate
CID 59262673

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidoanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;2-(3,5-dimethylanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;[2-(3,5-dimethylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide?
The IUPAC name of 2-(3-acetamidoanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;2-(3,5-dimethylanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;[2-(3,5-dimethylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide (CID 158381432) is 2-(3-acetamidoanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;2-(3,5-dimethylanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;[2-(3,5-dimethylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2-(3-acetamidoanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;2-(3,5-dimethylanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;[2-(3,5-dimethylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for 2-(3-acetamidoanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;2-(3,5-dimethylanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;[2-(3,5-dimethylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2ncc3ccc4sc(C(=O)N(C)C)cc4c3n2)c1.CC(=O)Nc1cccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)c1.Cc1cc(C)cc(Nc2ncc3ccc4sc(C(=O)N(C)C)cc4c3n2)c1.Cc1cc(C)cc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)c1.NS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)c1.
What is the InChIKey of 2-(3-acetamidoanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;2-(3,5-dimethylanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;[2-(3,5-dimethylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide?
The InChIKey is GVVIRUDCNKONBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2S.C23H23N5OS.C21H20N6O3S2.C21H19N5O2S.C21H20N4OS/c1-14(30)26-16-3-2-4-17(11-16)27-23-25-13-15-5-6-19-18(21(15)28-23)12-20(32-19)22(31)29-9-7-24-8-10-29;1-14-9-15(2)11-17(10-14)26-23-25-13-16-3-4-19-18(21(16)27-23)12-20(30-19)22(29)28-7-5-24-6-8-28;22-32(29,30)15-3-1-2-14(10-15)25-21-24-12-13-4-5-17-16(19(13)26-21)11-18(31-17)20(28)27-8-6-23-7-9-27;1-12(27)23-14-5-4-6-15(9-14)24-21-22-11-13-7-8-17-16(19(13)25-21)10-18(29-17)20(28)26(2)3;1-12-7-13(2)9-15(8-12)23-21-22-11-14-5-6-17-16(19(14)24-21)10-18(27-17)20(26)25(3)4/h2-6,11-13,24H,7-10H2,1H3,(H,26,30)(H,25,27,28);3-4,9-13,24H,5-8H2,1-2H3,(H,25,26,27);1-5,10-12,23H,6-9H2,(H2,22,29,30)(H,24,25,26);4-11H,1-3H3,(H,23,27)(H,22,24,25);5-11H,1-4H3,(H,22,23,24).
What are the key properties of 2-(3-acetamidoanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;2-(3,5-dimethylanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;[2-(3,5-dimethylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide?
2-(3-acetamidoanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;2-(3,5-dimethylanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;[2-(3,5-dimethylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide has a molecular weight of 2114.61 g/mol, XLogP of 19.28, 18 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidoanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;2-(3,5-dimethylanilino)-N,N-dimethylthieno[2,3-h]quinazoline-8-carboxamide;[2-(3,5-dimethylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;N-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 158381432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).