tert-butyl N-[1-[2-(3-phenylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]carbamate;[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone;(4-methylpiperazin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone

C103H93F2N19O7S4 — CID 158986595

About tert-butyl N-[1-[2-(3-phenylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]carbamate;[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone;(4-methylpiperazin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone

tert-butyl N-[1-[2-(3-phenylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]carbamate;[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone;(4-methylpiperazin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone (PubChem CID 158986595) has the molecular formula C103H93F2N19O7S4 and a molecular weight of 1875.27 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(3-phenylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]carbamate;[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone;(4-methylpiperazin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone.

Molecular Properties

• Compound Name: tert-butyl N-[1-[2-(3-phenylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]carbamate;[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone;(4-methylpiperazin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone
• PubChem CID: 158986595
• Molecular Formula: C103H93F2N19O7S4
• Molecular Weight: 1875.27 g/mol
• Exact Mass: 1873.64
• IUPAC Name: tert-butyl N-[1-[2-(3-phenylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]carbamate;[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone;(4-methylpiperazin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone
• SMILES: CC(C)(C)OC(=O)NC1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(-c6ccccc6)c5)nc43)s2)C1.CN1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(-c6ccccc6)c5)nc43)s2)CC1.CN1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(F)c5)nc43)s2)CC1.O=C(c1cc2c(ccc3cnc(Nc4cccc(F)c4)nc32)s1)N1CCOCC1
• InChI: InChI=1S/C32H31N5O3S.C28H25N5OS.C22H20FN5OS.C21H17FN4O2S/c1-32(2,3)40-31(39)35-24-14-15-37(19-24)29(38)27-17-25-26(41-27)13-12-22-18-33-30(36-28(22)25)34-23-11-7-10-21(16-23)20-8-5-4-6-9-20;1-32-12-14-33(15-13-32)27(34)25-17-23-24(35-25)11-10-21-18-29-28(31-26(21)23)30-22-9-5-8-20(16-22)19-6-3-2-4-7-19;1-27-7-9-28(10-8-27)21(29)19-12-17-18(30-19)6-5-14-13-24-22(26-20(14)17)25-16-4-2-3-15(23)11-16;22-14-2-1-3-15(10-14)24-21-23-12-13-4-5-17-16(19(13)25-21)11-18(29-17)20(27)26-6-8-28-9-7-26/h4-13,16-18,24H,14-15,19H2,1-3H3,(H,35,39)(H,33,34,36);2-11,16-18H,12-15H2,1H3,(H,29,30,31);2-6,11-13H,7-10H2,1H3,(H,24,25,26);1-5,10-12H,6-9H2,(H,23,24,25)
• InChIKey: JPQKIGQCASWBIM-UHFFFAOYSA-N
• XLogP: 20.95
• TPSA: 286.52 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 15
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1875.27
LogP ≤ 5	20.95
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(3-phenylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]carbamate;[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone;(4-methylpiperazin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone?

The IUPAC name of tert-butyl N-[1-[2-(3-phenylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]carbamate;[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone;(4-methylpiperazin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone (CID 158986595) is tert-butyl N-[1-[2-(3-phenylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]carbamate;[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone;(4-methylpiperazin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone.

What is the SMILES notation for tert-butyl N-[1-[2-(3-phenylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]carbamate;[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone;(4-methylpiperazin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone?

The canonical SMILES for tert-butyl N-[1-[2-(3-phenylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]carbamate;[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone;(4-methylpiperazin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone is CC(C)(C)OC(=O)NC1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(-c6ccccc6)c5)nc43)s2)C1.CN1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(-c6ccccc6)c5)nc43)s2)CC1.CN1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(F)c5)nc43)s2)CC1.O=C(c1cc2c(ccc3cnc(Nc4cccc(F)c4)nc32)s1)N1CCOCC1.

What is the InChIKey of tert-butyl N-[1-[2-(3-phenylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]carbamate;[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone;(4-methylpiperazin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone?

The InChIKey is JPQKIGQCASWBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N5O3S.C28H25N5OS.C22H20FN5OS.C21H17FN4O2S/c1-32(2,3)40-31(39)35-24-14-15-37(19-24)29(38)27-17-25-26(41-27)13-12-22-18-33-30(36-28(22)25)34-23-11-7-10-21(16-23)20-8-5-4-6-9-20;1-32-12-14-33(15-13-32)27(34)25-17-23-24(35-25)11-10-21-18-29-28(31-26(21)23)30-22-9-5-8-20(16-22)19-6-3-2-4-7-19;1-27-7-9-28(10-8-27)21(29)19-12-17-18(30-19)6-5-14-13-24-22(26-20(14)17)25-16-4-2-3-15(23)11-16;22-14-2-1-3-15(10-14)24-21-23-12-13-4-5-17-16(19(13)25-21)11-18(29-17)20(27)26-6-8-28-9-7-26/h4-13,16-18,24H,14-15,19H2,1-3H3,(H,35,39)(H,33,34,36);2-11,16-18H,12-15H2,1H3,(H,29,30,31);2-6,11-13H,7-10H2,1H3,(H,24,25,26);1-5,10-12H,6-9H2,(H,23,24,25).

What are the key properties of tert-butyl N-[1-[2-(3-phenylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]carbamate;[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone;(4-methylpiperazin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone?

tert-butyl N-[1-[2-(3-phenylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]carbamate;[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone;(4-methylpiperazin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone has a molecular weight of 1875.27 g/mol, XLogP of 20.95, 15 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[2-(3-phenylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]carbamate;[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone;(4-methylpiperazin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone is sourced from PubChem (CID 158986595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).