tert-butyl 2-anilinothieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(cyclohexylamino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 4-[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazine-1-carboxylate;3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-(piperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide

C111H112N22O16S8 — CID 159797320

About tert-butyl 2-anilinothieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(cyclohexylamino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 4-[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazine-1-carboxylate;3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-(piperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide

tert-butyl 2-anilinothieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(cyclohexylamino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 4-[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazine-1-carboxylate;3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-(piperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide (PubChem CID 159797320) has the molecular formula C111H112N22O16S8 and a molecular weight of 2266.79 g/mol. Its IUPAC name is tert-butyl 2-anilinothieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(cyclohexylamino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 4-[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazine-1-carboxylate;3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-(piperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide.

Molecular Properties

• Compound Name: tert-butyl 2-anilinothieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(cyclohexylamino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 4-[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazine-1-carboxylate;3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-(piperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide
• PubChem CID: 159797320
• Molecular Formula: C111H112N22O16S8
• Molecular Weight: 2266.79 g/mol
• Exact Mass: 2264.64
• IUPAC Name: tert-butyl 2-anilinothieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(cyclohexylamino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 4-[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazine-1-carboxylate;3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-(piperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide
• SMILES: CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(S(N)(=O)=O)c5)nc43)s2)CC1.CC(C)(C)OC(=O)c1cc2c(ccc3cnc(NC4CCCCC4)nc32)s1.CC(C)(C)OC(=O)c1cc2c(ccc3cnc(Nc4ccccc4)nc32)s1.NS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCCCC5)cc4c3n2)c1.NS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCOCC5)cc4c3n2)c1
• InChI: InChI=1S/C26H28N6O5S2.C22H21N5O3S2.C21H19N5O4S2.C21H25N3O2S.C21H19N3O2S/c1-26(2,3)37-25(34)32-11-9-31(10-12-32)23(33)21-14-19-20(38-21)8-7-16-15-28-24(30-22(16)19)29-17-5-4-6-18(13-17)39(27,35)36;23-32(29,30)16-6-4-5-15(11-16)25-22-24-13-14-7-8-18-17(20(14)26-22)12-19(31-18)21(28)27-9-2-1-3-10-27;22-32(28,29)15-3-1-2-14(10-15)24-21-23-12-13-4-5-17-16(19(13)25-21)11-18(31-17)20(27)26-6-8-30-9-7-26;2*1-21(2,3)26-19(25)17-11-15-16(27-17)10-9-13-12-22-20(24-18(13)15)23-14-7-5-4-6-8-14/h4-8,13-15H,9-12H2,1-3H3,(H2,27,35,36)(H,28,29,30);4-8,11-13H,1-3,9-10H2,(H2,23,29,30)(H,24,25,26);1-5,10-12H,6-9H2,(H2,22,28,29)(H,23,24,25);9-12,14H,4-8H2,1-3H3,(H,22,23,24);4-12H,1-3H3,(H,22,23,24)
• InChIKey: NJILLOQHMDRKBE-UHFFFAOYSA-N
• XLogP: 21.59
• TPSA: 521.83 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 18
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2266.79
LogP ≤ 5	21.59
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-anilinothieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(cyclohexylamino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 4-[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazine-1-carboxylate;3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-(piperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide?

The IUPAC name of tert-butyl 2-anilinothieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(cyclohexylamino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 4-[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazine-1-carboxylate;3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-(piperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide (CID 159797320) is tert-butyl 2-anilinothieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(cyclohexylamino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 4-[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazine-1-carboxylate;3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-(piperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide.

What is the SMILES notation for tert-butyl 2-anilinothieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(cyclohexylamino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 4-[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazine-1-carboxylate;3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-(piperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide?

The canonical SMILES for tert-butyl 2-anilinothieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(cyclohexylamino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 4-[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazine-1-carboxylate;3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-(piperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide is CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(S(N)(=O)=O)c5)nc43)s2)CC1.CC(C)(C)OC(=O)c1cc2c(ccc3cnc(NC4CCCCC4)nc32)s1.CC(C)(C)OC(=O)c1cc2c(ccc3cnc(Nc4ccccc4)nc32)s1.NS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCCCC5)cc4c3n2)c1.NS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCOCC5)cc4c3n2)c1.

What is the InChIKey of tert-butyl 2-anilinothieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(cyclohexylamino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 4-[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazine-1-carboxylate;3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-(piperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide?

The InChIKey is NJILLOQHMDRKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O5S2.C22H21N5O3S2.C21H19N5O4S2.C21H25N3O2S.C21H19N3O2S/c1-26(2,3)37-25(34)32-11-9-31(10-12-32)23(33)21-14-19-20(38-21)8-7-16-15-28-24(30-22(16)19)29-17-5-4-6-18(13-17)39(27,35)36;23-32(29,30)16-6-4-5-15(11-16)25-22-24-13-14-7-8-18-17(20(14)26-22)12-19(31-18)21(28)27-9-2-1-3-10-27;22-32(28,29)15-3-1-2-14(10-15)24-21-23-12-13-4-5-17-16(19(13)25-21)11-18(31-17)20(27)26-6-8-30-9-7-26;2*1-21(2,3)26-19(25)17-11-15-16(27-17)10-9-13-12-22-20(24-18(13)15)23-14-7-5-4-6-8-14/h4-8,13-15H,9-12H2,1-3H3,(H2,27,35,36)(H,28,29,30);4-8,11-13H,1-3,9-10H2,(H2,23,29,30)(H,24,25,26);1-5,10-12H,6-9H2,(H2,22,28,29)(H,23,24,25);9-12,14H,4-8H2,1-3H3,(H,22,23,24);4-12H,1-3H3,(H,22,23,24).

What are the key properties of tert-butyl 2-anilinothieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(cyclohexylamino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 4-[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazine-1-carboxylate;3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-(piperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide?

tert-butyl 2-anilinothieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(cyclohexylamino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 4-[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazine-1-carboxylate;3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-(piperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide has a molecular weight of 2266.79 g/mol, XLogP of 21.59, 18 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-anilinothieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(cyclohexylamino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 4-[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazine-1-carboxylate;3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-(piperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 159797320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).