3-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]benzamide;4-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]benzamide;1-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;7,7-dioxo-N-(2-phenylpropan-2-yl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;7,7-dioxo-N-(4-propan-2-ylphenyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine

C90H84N18O12S5 — CID 160567563

IUPAC3-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]benzamide;4-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]benzamide;1-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;7,7-dioxo-N-(2-phenylpropan-2-yl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;7,7-dioxo-N-(4-propan-2-ylphenyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
SMILESCC(C)(Nc1ncnc2ccc3c(c12)CCS3(=O)=O)c1ccccc1.CC(C)c1ccc(Nc2ncnc3ccc4c(c23)CCS4(=O)=O)cc1.CN(C)c1ccc(Nc2ncnc3ccc4c(c23)CCS4(=O)=O)cc1.NC(=O)c1ccc(Nc2ncnc3ccc4c(c23)CCS4(=O)=O)cc1.NC(=O)c1cccc(Nc2ncnc3ccc4c(c23)CCS4(=O)=O)c1
InChIInChI=1S/2C19H19N3O2S.C18H18N4O2S.2C17H14N4O3S/c1-12(2)13-3-5-14(6-4-13)22-19-18-15-9-10-25(23,24)17(15)8-7-16(18)20-11-21-19;1-19(2,13-6-4-3-5-7-13)22-18-17-14-10-11-25(23,24)16(14)9-8-15(17)20-12-21-18;1-22(2)13-5-3-12(4-6-13)21-18-17-14-9-10-25(23,24)16(14)8-7-15(17)19-11-20-18;18-16(22)10-1-3-11(4-2-10)21-17-15-12-7-8-25(23,24)14(12)6-5-13(15)19-9-20-17;18-16(22)10-2-1-3-11(8-10)21-17-15-12-6-7-25(23,24)14(12)5-4-13(15)19-9-20-17/h3-8,11-12H,9-10H2,1-2H3,(H,20,21,22);3-9,12H,10-11H2,1-2H3,(H,20,21,22);3-8,11H,9-10H2,1-2H3,(H,19,20,21);1-6,9H,7-8H2,(H2,18,22)(H,19,20,21);1-5,8-9H,6-7H2,(H2,18,22)(H,19,20,21)
InChIKeyRACWTTMTOAEBOT-UHFFFAOYSA-N
MW1770.11 g/mol
LogP13.51
Rot. Bonds15

About 3-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]benzamide;4-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]benzamide;1-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;7,7-dioxo-N-(2-phenylpropan-2-yl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;7,7-dioxo-N-(4-propan-2-ylphenyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine

3-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]benzamide;4-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]benzamide;1-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;7,7-dioxo-N-(2-phenylpropan-2-yl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;7,7-dioxo-N-(4-propan-2-ylphenyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine (PubChem CID 160567563) has the molecular formula C90H84N18O12S5 and a molecular weight of 1770.11 g/mol. Its IUPAC name is 3-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]benzamide;4-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]benzamide;1-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;7,7-dioxo-N-(2-phenylpropan-2-yl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;7,7-dioxo-N-(4-propan-2-ylphenyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine.

Molecular Properties

Compound Name3-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]benzamide;4-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]benzamide;1-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;7,7-dioxo-N-(2-phenylpropan-2-yl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;7,7-dioxo-N-(4-propan-2-ylphenyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
PubChem CID160567563
Molecular FormulaC90H84N18O12S5
Molecular Weight1770.11 g/mol
Exact Mass1768.51
IUPAC Name3-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]benzamide;4-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]benzamide;1-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;7,7-dioxo-N-(2-phenylpropan-2-yl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;7,7-dioxo-N-(4-propan-2-ylphenyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
SMILESCC(C)(Nc1ncnc2ccc3c(c12)CCS3(=O)=O)c1ccccc1.CC(C)c1ccc(Nc2ncnc3ccc4c(c23)CCS4(=O)=O)cc1.CN(C)c1ccc(Nc2ncnc3ccc4c(c23)CCS4(=O)=O)cc1.NC(=O)c1ccc(Nc2ncnc3ccc4c(c23)CCS4(=O)=O)cc1.NC(=O)c1cccc(Nc2ncnc3ccc4c(c23)CCS4(=O)=O)c1
InChIInChI=1S/2C19H19N3O2S.C18H18N4O2S.2C17H14N4O3S/c1-12(2)13-3-5-14(6-4-13)22-19-18-15-9-10-25(23,24)17(15)8-7-16(18)20-11-21-19;1-19(2,13-6-4-3-5-7-13)22-18-17-14-10-11-25(23,24)16(14)9-8-15(17)20-12-21-18;1-22(2)13-5-3-12(4-6-13)21-18-17-14-9-10-25(23,24)16(14)8-7-15(17)19-11-20-18;18-16(22)10-1-3-11(4-2-10)21-17-15-12-7-8-25(23,24)14(12)6-5-13(15)19-9-20-17;18-16(22)10-2-1-3-11(8-10)21-17-15-12-6-7-25(23,24)14(12)5-4-13(15)19-9-20-17/h3-8,11-12H,9-10H2,1-2H3,(H,20,21,22);3-9,12H,10-11H2,1-2H3,(H,20,21,22);3-8,11H,9-10H2,1-2H3,(H,19,20,21);1-6,9H,7-8H2,(H2,18,22)(H,19,20,21);1-5,8-9H,6-7H2,(H2,18,22)(H,19,20,21)
InChIKeyRACWTTMTOAEBOT-UHFFFAOYSA-N
XLogP13.51
TPSA449.17 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds15
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001770.11
LogP ≤ 513.51
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]benzamide;4-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]benzamide;1-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;7,7-dioxo-N-(2-phenylpropan-2-yl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;7,7-dioxo-N-(4-propan-2-ylphenyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]benzamide;4-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]benzamide;1-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;7,7-dioxo-N-(2-phenylpropan-2-yl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;7,7-dioxo-N-(4-propan-2-ylphenyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
The IUPAC name of 3-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]benzamide;4-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]benzamide;1-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;7,7-dioxo-N-(2-phenylpropan-2-yl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;7,7-dioxo-N-(4-propan-2-ylphenyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine (CID 160567563) is 3-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]benzamide;4-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]benzamide;1-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;7,7-dioxo-N-(2-phenylpropan-2-yl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;7,7-dioxo-N-(4-propan-2-ylphenyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine.
What is the SMILES notation for 3-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]benzamide;4-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]benzamide;1-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;7,7-dioxo-N-(2-phenylpropan-2-yl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;7,7-dioxo-N-(4-propan-2-ylphenyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
The canonical SMILES for 3-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]benzamide;4-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]benzamide;1-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;7,7-dioxo-N-(2-phenylpropan-2-yl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;7,7-dioxo-N-(4-propan-2-ylphenyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine is CC(C)(Nc1ncnc2ccc3c(c12)CCS3(=O)=O)c1ccccc1.CC(C)c1ccc(Nc2ncnc3ccc4c(c23)CCS4(=O)=O)cc1.CN(C)c1ccc(Nc2ncnc3ccc4c(c23)CCS4(=O)=O)cc1.NC(=O)c1ccc(Nc2ncnc3ccc4c(c23)CCS4(=O)=O)cc1.NC(=O)c1cccc(Nc2ncnc3ccc4c(c23)CCS4(=O)=O)c1.
What is the InChIKey of 3-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]benzamide;4-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]benzamide;1-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;7,7-dioxo-N-(2-phenylpropan-2-yl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;7,7-dioxo-N-(4-propan-2-ylphenyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
The InChIKey is RACWTTMTOAEBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H19N3O2S.C18H18N4O2S.2C17H14N4O3S/c1-12(2)13-3-5-14(6-4-13)22-19-18-15-9-10-25(23,24)17(15)8-7-16(18)20-11-21-19;1-19(2,13-6-4-3-5-7-13)22-18-17-14-10-11-25(23,24)16(14)9-8-15(17)20-12-21-18;1-22(2)13-5-3-12(4-6-13)21-18-17-14-9-10-25(23,24)16(14)8-7-15(17)19-11-20-18;18-16(22)10-1-3-11(4-2-10)21-17-15-12-7-8-25(23,24)14(12)6-5-13(15)19-9-20-17;18-16(22)10-2-1-3-11(8-10)21-17-15-12-6-7-25(23,24)14(12)5-4-13(15)19-9-20-17/h3-8,11-12H,9-10H2,1-2H3,(H,20,21,22);3-9,12H,10-11H2,1-2H3,(H,20,21,22);3-8,11H,9-10H2,1-2H3,(H,19,20,21);1-6,9H,7-8H2,(H2,18,22)(H,19,20,21);1-5,8-9H,6-7H2,(H2,18,22)(H,19,20,21).
What are the key properties of 3-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]benzamide;4-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]benzamide;1-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;7,7-dioxo-N-(2-phenylpropan-2-yl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;7,7-dioxo-N-(4-propan-2-ylphenyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
3-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]benzamide;4-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]benzamide;1-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;7,7-dioxo-N-(2-phenylpropan-2-yl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;7,7-dioxo-N-(4-propan-2-ylphenyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine has a molecular weight of 1770.11 g/mol, XLogP of 13.51, 15 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]benzamide;4-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]benzamide;1-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;7,7-dioxo-N-(2-phenylpropan-2-yl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;7,7-dioxo-N-(4-propan-2-ylphenyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine is sourced from PubChem (CID 160567563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).