tert-butyl 2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(4-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(3-fluoroanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(2-methylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(3-phenylanilino)thieno[2,3-h]quinazoline-8-carboxylate

C120H116FN15O10S5 — CID 157251080

IUPACtert-butyl 2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(4-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(3-fluoroanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(2-methylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(3-phenylanilino)thieno[2,3-h]quinazoline-8-carboxylate
SMILESCC(C)(C)OC(=O)c1cc2c(ccc3cnc(Nc4ccc(C(C)(C)C)cc4)nc32)s1.CC(C)(C)OC(=O)c1cc2c(ccc3cnc(Nc4cccc(-c5ccccc5)c4)nc32)s1.CC(C)(C)OC(=O)c1cc2c(ccc3cnc(Nc4cccc(C(C)(C)C)c4)nc32)s1.CC(C)(C)OC(=O)c1cc2c(ccc3cnc(Nc4cccc(F)c4)nc32)s1.Cc1ccccc1Nc1ncc2ccc3sc(C(=O)OC(C)(C)C)cc3c2n1
InChIInChI=1S/C27H23N3O2S.2C25H27N3O2S.C22H21N3O2S.C21H18FN3O2S/c1-27(2,3)32-25(31)23-15-21-22(33-23)13-12-19-16-28-26(30-24(19)21)29-20-11-7-10-18(14-20)17-8-5-4-6-9-17;1-24(2,3)16-8-10-17(11-9-16)27-23-26-14-15-7-12-19-18(21(15)28-23)13-20(31-19)22(29)30-25(4,5)6;1-24(2,3)16-8-7-9-17(12-16)27-23-26-14-15-10-11-19-18(21(15)28-23)13-20(31-19)22(29)30-25(4,5)6;1-13-7-5-6-8-16(13)24-21-23-12-14-9-10-17-15(19(14)25-21)11-18(28-17)20(26)27-22(2,3)4;1-21(2,3)27-19(26)17-10-15-16(28-17)8-7-12-11-23-20(25-18(12)15)24-14-6-4-5-13(22)9-14/h4-16H,1-3H3,(H,28,29,30);2*7-14H,1-6H3,(H,26,27,28);5-12H,1-4H3,(H,23,24,25);4-11H,1-3H3,(H,23,24,25)
InChIKeyAWIWCGNSWLUMIU-UHFFFAOYSA-N
MW2107.68 g/mol
LogP32.43
Rot. Bonds16

About tert-butyl 2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(4-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(3-fluoroanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(2-methylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(3-phenylanilino)thieno[2,3-h]quinazoline-8-carboxylate

tert-butyl 2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(4-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(3-fluoroanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(2-methylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(3-phenylanilino)thieno[2,3-h]quinazoline-8-carboxylate (PubChem CID 157251080) has the molecular formula C120H116FN15O10S5 and a molecular weight of 2107.68 g/mol. Its IUPAC name is tert-butyl 2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(4-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(3-fluoroanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(2-methylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(3-phenylanilino)thieno[2,3-h]quinazoline-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(4-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(3-fluoroanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(2-methylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(3-phenylanilino)thieno[2,3-h]quinazoline-8-carboxylate
PubChem CID157251080
Molecular FormulaC120H116FN15O10S5
Molecular Weight2107.68 g/mol
Exact Mass2105.76
IUPAC Nametert-butyl 2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(4-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(3-fluoroanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(2-methylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(3-phenylanilino)thieno[2,3-h]quinazoline-8-carboxylate
SMILESCC(C)(C)OC(=O)c1cc2c(ccc3cnc(Nc4ccc(C(C)(C)C)cc4)nc32)s1.CC(C)(C)OC(=O)c1cc2c(ccc3cnc(Nc4cccc(-c5ccccc5)c4)nc32)s1.CC(C)(C)OC(=O)c1cc2c(ccc3cnc(Nc4cccc(C(C)(C)C)c4)nc32)s1.CC(C)(C)OC(=O)c1cc2c(ccc3cnc(Nc4cccc(F)c4)nc32)s1.Cc1ccccc1Nc1ncc2ccc3sc(C(=O)OC(C)(C)C)cc3c2n1
InChIInChI=1S/C27H23N3O2S.2C25H27N3O2S.C22H21N3O2S.C21H18FN3O2S/c1-27(2,3)32-25(31)23-15-21-22(33-23)13-12-19-16-28-26(30-24(19)21)29-20-11-7-10-18(14-20)17-8-5-4-6-9-17;1-24(2,3)16-8-10-17(11-9-16)27-23-26-14-15-7-12-19-18(21(15)28-23)13-20(31-19)22(29)30-25(4,5)6;1-24(2,3)16-8-7-9-17(12-16)27-23-26-14-15-10-11-19-18(21(15)28-23)13-20(31-19)22(29)30-25(4,5)6;1-13-7-5-6-8-16(13)24-21-23-12-14-9-10-17-15(19(14)25-21)11-18(28-17)20(26)27-22(2,3)4;1-21(2,3)27-19(26)17-10-15-16(28-17)8-7-12-11-23-20(25-18(12)15)24-14-6-4-5-13(22)9-14/h4-16H,1-3H3,(H,28,29,30);2*7-14H,1-6H3,(H,26,27,28);5-12H,1-4H3,(H,23,24,25);4-11H,1-3H3,(H,23,24,25)
InChIKeyAWIWCGNSWLUMIU-UHFFFAOYSA-N
XLogP32.43
TPSA320.55 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds16
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002107.68
LogP ≤ 532.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze tert-butyl 2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(4-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(3-fluoroanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(2-methylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(3-phenylanilino)thieno[2,3-h]quinazoline-8-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl 2-(3-fluoroanilino)thieno[2,3-h]quinazoline-8-carboxylate
CID 59262688
Prop-1-en-2-yl 2-(3-fluoroanilino)thieno[2,3-h]quinazoline-8-carboxylate
CID 70559339
Tert-butyl 2-(4-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate
CID 59262690
Tert-butyl 2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate
CID 59262827
Tert-butyl 2-(3-phenylanilino)thieno[2,3-h]quinazoline-8-carboxylate
CID 59262838
Tert-butyl 2-[3-(trimethyl-lambda4-sulfanyl)anilino]thieno[2,3-h]quinazoline-8-carboxylate
CID 60019635
Prop-1-en-2-yl 2-(4-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate
CID 70559918
Prop-1-en-2-yl 2-(3-phenylanilino)thieno[2,3-h]quinazoline-8-carboxylate
CID 70560248
Prop-1-en-2-yl 2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate
CID 89085108
[2-(3-tert-butylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone;[2-(3-tert-butylanilino)thieno[2,3-h]quinazolin-8-yl]-morpholin-4-ylmethanone;tert-butyl N-[1-[2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]carbamate;morpholin-4-yl-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone
CID 158590647
Tert-butyl 2-anilinothieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(4-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(cyclohexylamino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(3-fluoroanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(2-methylanilino)thieno[2,3-h]quinazoline-8-carboxylate
CID 158752474
N-[(1-acetylpyrrolidin-3-yl)methyl]-2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N,N-dimethyl-4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzamide;(4-methylpiperazin-1-yl)-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone;morpholin-4-yl-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone;[2-[[(1R)-1-phenylethyl]amino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
CID 158958269

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(4-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(3-fluoroanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(2-methylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(3-phenylanilino)thieno[2,3-h]quinazoline-8-carboxylate?
The IUPAC name of tert-butyl 2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(4-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(3-fluoroanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(2-methylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(3-phenylanilino)thieno[2,3-h]quinazoline-8-carboxylate (CID 157251080) is tert-butyl 2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(4-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(3-fluoroanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(2-methylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(3-phenylanilino)thieno[2,3-h]quinazoline-8-carboxylate.
What is the SMILES notation for tert-butyl 2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(4-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(3-fluoroanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(2-methylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(3-phenylanilino)thieno[2,3-h]quinazoline-8-carboxylate?
The canonical SMILES for tert-butyl 2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(4-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(3-fluoroanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(2-methylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(3-phenylanilino)thieno[2,3-h]quinazoline-8-carboxylate is CC(C)(C)OC(=O)c1cc2c(ccc3cnc(Nc4ccc(C(C)(C)C)cc4)nc32)s1.CC(C)(C)OC(=O)c1cc2c(ccc3cnc(Nc4cccc(-c5ccccc5)c4)nc32)s1.CC(C)(C)OC(=O)c1cc2c(ccc3cnc(Nc4cccc(C(C)(C)C)c4)nc32)s1.CC(C)(C)OC(=O)c1cc2c(ccc3cnc(Nc4cccc(F)c4)nc32)s1.Cc1ccccc1Nc1ncc2ccc3sc(C(=O)OC(C)(C)C)cc3c2n1.
What is the InChIKey of tert-butyl 2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(4-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(3-fluoroanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(2-methylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(3-phenylanilino)thieno[2,3-h]quinazoline-8-carboxylate?
The InChIKey is AWIWCGNSWLUMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O2S.2C25H27N3O2S.C22H21N3O2S.C21H18FN3O2S/c1-27(2,3)32-25(31)23-15-21-22(33-23)13-12-19-16-28-26(30-24(19)21)29-20-11-7-10-18(14-20)17-8-5-4-6-9-17;1-24(2,3)16-8-10-17(11-9-16)27-23-26-14-15-7-12-19-18(21(15)28-23)13-20(31-19)22(29)30-25(4,5)6;1-24(2,3)16-8-7-9-17(12-16)27-23-26-14-15-10-11-19-18(21(15)28-23)13-20(31-19)22(29)30-25(4,5)6;1-13-7-5-6-8-16(13)24-21-23-12-14-9-10-17-15(19(14)25-21)11-18(28-17)20(26)27-22(2,3)4;1-21(2,3)27-19(26)17-10-15-16(28-17)8-7-12-11-23-20(25-18(12)15)24-14-6-4-5-13(22)9-14/h4-16H,1-3H3,(H,28,29,30);2*7-14H,1-6H3,(H,26,27,28);5-12H,1-4H3,(H,23,24,25);4-11H,1-3H3,(H,23,24,25).
What are the key properties of tert-butyl 2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(4-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(3-fluoroanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(2-methylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(3-phenylanilino)thieno[2,3-h]quinazoline-8-carboxylate?
tert-butyl 2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(4-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(3-fluoroanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(2-methylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(3-phenylanilino)thieno[2,3-h]quinazoline-8-carboxylate has a molecular weight of 2107.68 g/mol, XLogP of 32.43, 16 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(4-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(3-fluoroanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(2-methylanilino)thieno[2,3-h]quinazoline-8-carboxylate;tert-butyl 2-(3-phenylanilino)thieno[2,3-h]quinazoline-8-carboxylate is sourced from PubChem (CID 157251080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).