(3-aminopyrrolidin-1-yl)-[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(2-methylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;3-(2-methoxyethylamino)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide

C97H92FN21O7S4 — CID 157315252

About (3-aminopyrrolidin-1-yl)-[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(2-methylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;3-(2-methoxyethylamino)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide

(3-aminopyrrolidin-1-yl)-[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(2-methylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;3-(2-methoxyethylamino)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide (PubChem CID 157315252) has the molecular formula C97H92FN21O7S4 and a molecular weight of 1811.21 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(2-methylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;3-(2-methoxyethylamino)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide.

Molecular Properties

• Compound Name: (3-aminopyrrolidin-1-yl)-[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(2-methylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;3-(2-methoxyethylamino)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide
• PubChem CID: 157315252
• Molecular Formula: C97H92FN21O7S4
• Molecular Weight: 1811.21 g/mol
• Exact Mass: 1809.64
• IUPAC Name: (3-aminopyrrolidin-1-yl)-[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(2-methylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;3-(2-methoxyethylamino)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide
• SMILES: COCCNCCC(=O)Nc1cccc(Nc2ncc3ccc4sc(C(=O)N5CCOCC5)cc4c3n2)c1.Cc1ccccc1Nc1ncc2ccc3sc(C(=O)N4CCC(N)C4)cc3c2n1.NC1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(-c6ccccc6)c5)nc43)s2)C1.NC1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(F)c5)nc43)s2)C1
• InChI: InChI=1S/C27H30N6O4S.C27H23N5OS.C22H21N5OS.C21H18FN5OS/c1-36-12-9-28-8-7-24(34)30-19-3-2-4-20(15-19)31-27-29-17-18-5-6-22-21(25(18)32-27)16-23(38-22)26(35)33-10-13-37-14-11-33;28-20-11-12-32(16-20)26(33)24-14-22-23(34-24)10-9-19-15-29-27(31-25(19)22)30-21-8-4-7-18(13-21)17-5-2-1-3-6-17;1-13-4-2-3-5-17(13)25-22-24-11-14-6-7-18-16(20(14)26-22)10-19(29-18)21(28)27-9-8-15(23)12-27;22-13-2-1-3-15(8-13)25-21-24-10-12-4-5-17-16(19(12)26-21)9-18(29-17)20(28)27-7-6-14(23)11-27/h2-6,15-17,28H,7-14H2,1H3,(H,30,34)(H,29,31,32);1-10,13-15,20H,11-12,16,28H2,(H,29,30,31);2-7,10-11,15H,8-9,12,23H2,1H3,(H,24,25,26);1-5,8-10,14H,6-7,11,23H2,(H,24,25,26)
• InChIKey: BDNBBWRLEAXBEP-UHFFFAOYSA-N
• XLogP: 17.02
• TPSA: 370.13 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1811.21
LogP ≤ 5	17.02
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(2-methylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;3-(2-methoxyethylamino)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide?

The IUPAC name of (3-aminopyrrolidin-1-yl)-[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(2-methylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;3-(2-methoxyethylamino)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide (CID 157315252) is (3-aminopyrrolidin-1-yl)-[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(2-methylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;3-(2-methoxyethylamino)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide.

What is the SMILES notation for (3-aminopyrrolidin-1-yl)-[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(2-methylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;3-(2-methoxyethylamino)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide?

The canonical SMILES for (3-aminopyrrolidin-1-yl)-[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(2-methylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;3-(2-methoxyethylamino)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide is COCCNCCC(=O)Nc1cccc(Nc2ncc3ccc4sc(C(=O)N5CCOCC5)cc4c3n2)c1.Cc1ccccc1Nc1ncc2ccc3sc(C(=O)N4CCC(N)C4)cc3c2n1.NC1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(-c6ccccc6)c5)nc43)s2)C1.NC1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(F)c5)nc43)s2)C1.

What is the InChIKey of (3-aminopyrrolidin-1-yl)-[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(2-methylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;3-(2-methoxyethylamino)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide?

The InChIKey is BDNBBWRLEAXBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O4S.C27H23N5OS.C22H21N5OS.C21H18FN5OS/c1-36-12-9-28-8-7-24(34)30-19-3-2-4-20(15-19)31-27-29-17-18-5-6-22-21(25(18)32-27)16-23(38-22)26(35)33-10-13-37-14-11-33;28-20-11-12-32(16-20)26(33)24-14-22-23(34-24)10-9-19-15-29-27(31-25(19)22)30-21-8-4-7-18(13-21)17-5-2-1-3-6-17;1-13-4-2-3-5-17(13)25-22-24-11-14-6-7-18-16(20(14)26-22)10-19(29-18)21(28)27-9-8-15(23)12-27;22-13-2-1-3-15(8-13)25-21-24-10-12-4-5-17-16(19(12)26-21)9-18(29-17)20(28)27-7-6-14(23)11-27/h2-6,15-17,28H,7-14H2,1H3,(H,30,34)(H,29,31,32);1-10,13-15,20H,11-12,16,28H2,(H,29,30,31);2-7,10-11,15H,8-9,12,23H2,1H3,(H,24,25,26);1-5,8-10,14H,6-7,11,23H2,(H,24,25,26).

What are the key properties of (3-aminopyrrolidin-1-yl)-[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(2-methylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;3-(2-methoxyethylamino)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide?

(3-aminopyrrolidin-1-yl)-[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(2-methylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;3-(2-methoxyethylamino)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide has a molecular weight of 1811.21 g/mol, XLogP of 17.02, 20 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (3-aminopyrrolidin-1-yl)-[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(2-methylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;(3-aminopyrrolidin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;3-(2-methoxyethylamino)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide is sourced from PubChem (CID 157315252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).