2-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine;7,7-dioxo-N-(pyridin-3-ylmethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(furan-2-ylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(furan-3-ylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(4-methylpentan-2-yl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(oxan-3-yl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine

C92H98N20O15S6 — CID 159223312

IUPAC2-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine;7,7-dioxo-N-(pyridin-3-ylmethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(furan-2-ylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(furan-3-ylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(4-methylpentan-2-yl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(oxan-3-yl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
SMILESCC(C)CC(C)Nc1ncnc2ccc3c(c12)CCS3(=O)=O.CC(CN(C)C)Nc1ncnc2ccc3c(c12)CCS3(=O)=O.O=S1(=O)CCc2c1ccc1ncnc(NC3CCCOC3)c21.O=S1(=O)CCc2c1ccc1ncnc(NCc3cccnc3)c21.O=S1(=O)CCc2c1ccc1ncnc(NCc3ccco3)c21.O=S1(=O)CCc2c1ccc1ncnc(NCc3ccoc3)c21
InChIInChI=1S/C16H14N4O2S.C16H21N3O2S.C15H20N4O2S.C15H13N3O3S.C15H17N3O3S.C15H13N3O3S/c21-23(22)7-5-12-14(23)4-3-13-15(12)16(20-10-19-13)18-9-11-2-1-6-17-8-11;1-10(2)8-11(3)19-16-15-12-6-7-22(20,21)14(12)5-4-13(15)17-9-18-16;1-10(8-19(2)3)18-15-14-11-6-7-22(20,21)13(11)5-4-12(14)16-9-17-15;19-22(20)6-4-11-13(22)2-1-12-14(11)15(18-9-17-12)16-7-10-3-5-21-8-10;19-22(20)7-5-11-13(22)4-3-12-14(11)15(17-9-16-12)18-10-2-1-6-21-8-10;19-22(20)7-5-11-13(22)4-3-12-14(11)15(18-9-17-12)16-8-10-2-1-6-21-10/h1-4,6,8,10H,5,7,9H2,(H,18,19,20);4-5,9-11H,6-8H2,1-3H3,(H,17,18,19);4-5,9-10H,6-8H2,1-3H3,(H,16,17,18);1-3,5,8-9H,4,6-7H2,(H,16,17,18);3-4,9-10H,1-2,5-8H2,(H,16,17,18);1-4,6,9H,5,7-8H2,(H,16,17,18)
InChIKeyKRYWWEWWVJICNS-UHFFFAOYSA-N
MW1916.32 g/mol
LogP11.97
Rot. Bonds19

About 2-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine;7,7-dioxo-N-(pyridin-3-ylmethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(furan-2-ylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(furan-3-ylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(4-methylpentan-2-yl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(oxan-3-yl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine

2-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine;7,7-dioxo-N-(pyridin-3-ylmethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(furan-2-ylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(furan-3-ylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(4-methylpentan-2-yl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(oxan-3-yl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine (PubChem CID 159223312) has the molecular formula C92H98N20O15S6 and a molecular weight of 1916.32 g/mol. Its IUPAC name is 2-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine;7,7-dioxo-N-(pyridin-3-ylmethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(furan-2-ylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(furan-3-ylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(4-methylpentan-2-yl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(oxan-3-yl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine.

Molecular Properties

Compound Name2-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine;7,7-dioxo-N-(pyridin-3-ylmethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(furan-2-ylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(furan-3-ylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(4-methylpentan-2-yl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(oxan-3-yl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
PubChem CID159223312
Molecular FormulaC92H98N20O15S6
Molecular Weight1916.32 g/mol
Exact Mass1914.58
IUPAC Name2-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine;7,7-dioxo-N-(pyridin-3-ylmethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(furan-2-ylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(furan-3-ylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(4-methylpentan-2-yl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(oxan-3-yl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
SMILESCC(C)CC(C)Nc1ncnc2ccc3c(c12)CCS3(=O)=O.CC(CN(C)C)Nc1ncnc2ccc3c(c12)CCS3(=O)=O.O=S1(=O)CCc2c1ccc1ncnc(NC3CCCOC3)c21.O=S1(=O)CCc2c1ccc1ncnc(NCc3cccnc3)c21.O=S1(=O)CCc2c1ccc1ncnc(NCc3ccco3)c21.O=S1(=O)CCc2c1ccc1ncnc(NCc3ccoc3)c21
InChIInChI=1S/C16H14N4O2S.C16H21N3O2S.C15H20N4O2S.C15H13N3O3S.C15H17N3O3S.C15H13N3O3S/c21-23(22)7-5-12-14(23)4-3-13-15(12)16(20-10-19-13)18-9-11-2-1-6-17-8-11;1-10(2)8-11(3)19-16-15-12-6-7-22(20,21)14(12)5-4-13(15)17-9-18-16;1-10(8-19(2)3)18-15-14-11-6-7-22(20,21)13(11)5-4-12(14)16-9-17-15;19-22(20)6-4-11-13(22)2-1-12-14(11)15(18-9-17-12)16-7-10-3-5-21-8-10;19-22(20)7-5-11-13(22)4-3-12-14(11)15(17-9-16-12)18-10-2-1-6-21-8-10;19-22(20)7-5-11-13(22)4-3-12-14(11)15(18-9-17-12)16-8-10-2-1-6-21-10/h1-4,6,8,10H,5,7,9H2,(H,18,19,20);4-5,9-11H,6-8H2,1-3H3,(H,17,18,19);4-5,9-10H,6-8H2,1-3H3,(H,16,17,18);1-3,5,8-9H,4,6-7H2,(H,16,17,18);3-4,9-10H,1-2,5-8H2,(H,16,17,18);1-4,6,9H,5,7-8H2,(H,16,17,18)
InChIKeyKRYWWEWWVJICNS-UHFFFAOYSA-N
XLogP11.97
TPSA483.34 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds19
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001916.32
LogP ≤ 511.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Analyze 2-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine;7,7-dioxo-N-(pyridin-3-ylmethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(furan-2-ylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(furan-3-ylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(4-methylpentan-2-yl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(oxan-3-yl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(5Z)-5-[[2-[(4-aminocyclohexyl)-methylamino]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;N-[4-[[4-[(Z)-(3,5-dioxothiolan-2-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]furan-2-carboxamide;N-[4-[[4-[(Z)-(3,5-dioxothiolan-2-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]furan-2-sulfonamide;N-[4-[[4-[(Z)-(3,5-dioxothiolan-2-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]quinoline-8-carboxamide
CID 157288313
8-[[3-(benzenesulfonyl)imidazol-4-yl]methyl]-6-(N-methylanilino)-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentylsulfinylfuran-2-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[[2-[2-(dimethylamino)ethylsulfonyl]furan-3-yl]methyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one
CID 157713808
S-[2-[6-[[2-[2-(4-methylpiperazin-1-yl)ethylamino]quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[3-(4-methylpiperazin-1-yl)isoquinolin-7-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[2-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[2-[3-(4-methylpiperazin-1-yl)propylamino]quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-pyrrolidin-1-ylethoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate
CID 158109268
N-benzyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-propan-2-ylacetamide;N-(furan-2-ylmethyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(1-thiophen-2-ylethyl)acetamide;N-(furan-2-ylmethyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;methane;N-methyl-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(2-pyridin-3-ylethyl)acetamide;N-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;2-oxo-N-(2-oxo-1,4-diphenylbutyl)-3,4-dihydro-1H-quinoline-6-sulfonamide;2-oxo-N-[2-oxo-1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 158136004
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)furan-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 158168070
6-Cyclopropyl-8-[[2-(2-methoxyethylsulfonyl)furan-3-yl]methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-8-[(3-propan-2-ylsulfinylfuran-2-yl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(1-methylsulfonylpyrrol-2-yl)methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 159684445
(5Z)-5-[[2-[(4-aminocyclohexyl)-methylamino]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;N-[4-[[4-[(Z)-(3,5-dioxothiolan-2-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]furan-2-carboxamide;N-[4-[[4-[(Z)-(3,5-dioxothiolan-2-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]furan-2-sulfonamide;N-[4-[[4-[(Z)-(3,5-dioxothiolan-2-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]quinoline-8-sulfinamide;N-[4-[[4-[(Z)-(3,5-dioxothiolan-2-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]quinoline-8-sulfonamide
CID 159773547
1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-isoquinolin-3-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-isoquinolin-3-ylurea;N-[3-[[2-(1-benzofuran-5-ylcarbamoylamino)-6-methylpyrimidin-4-yl]amino]propyl]acetamide;1-(1-benzofuran-5-yl)-3-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-isoquinolin-3-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-quinolin-2-ylurea;N-[3-[[2-(isoquinolin-3-ylcarbamoylamino)-6-methylpyrimidin-4-yl]amino]propyl]acetamide;1-isoquinolin-3-yl-3-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]urea
CID 160318773
CID 161135131
CID 161135131
N-cyclohexyl-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide;N-(furan-2-ylmethyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(1-thiophen-2-ylethyl)acetamide;N-[2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;N-[1-(3-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;2-oxo-N-[2-oxo-1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 161744579
N-(1-benzylpiperidin-4-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;8-cyclobutyl-N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-4-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-methyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinolin-4-amine
CID 165050351
N,N-dimethyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;4-methylsulfonyl-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;2-(4-methylsulfonylphenyl)-6-piperidin-1-ylpyrazine;4-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-c]pyridine
CID 167555158

Frequently Asked Questions

What is the IUPAC name of 2-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine;7,7-dioxo-N-(pyridin-3-ylmethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(furan-2-ylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(furan-3-ylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(4-methylpentan-2-yl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(oxan-3-yl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
The IUPAC name of 2-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine;7,7-dioxo-N-(pyridin-3-ylmethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(furan-2-ylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(furan-3-ylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(4-methylpentan-2-yl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(oxan-3-yl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine (CID 159223312) is 2-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine;7,7-dioxo-N-(pyridin-3-ylmethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(furan-2-ylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(furan-3-ylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(4-methylpentan-2-yl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(oxan-3-yl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine.
What is the SMILES notation for 2-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine;7,7-dioxo-N-(pyridin-3-ylmethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(furan-2-ylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(furan-3-ylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(4-methylpentan-2-yl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(oxan-3-yl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
The canonical SMILES for 2-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine;7,7-dioxo-N-(pyridin-3-ylmethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(furan-2-ylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(furan-3-ylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(4-methylpentan-2-yl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(oxan-3-yl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine is CC(C)CC(C)Nc1ncnc2ccc3c(c12)CCS3(=O)=O.CC(CN(C)C)Nc1ncnc2ccc3c(c12)CCS3(=O)=O.O=S1(=O)CCc2c1ccc1ncnc(NC3CCCOC3)c21.O=S1(=O)CCc2c1ccc1ncnc(NCc3cccnc3)c21.O=S1(=O)CCc2c1ccc1ncnc(NCc3ccco3)c21.O=S1(=O)CCc2c1ccc1ncnc(NCc3ccoc3)c21.
What is the InChIKey of 2-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine;7,7-dioxo-N-(pyridin-3-ylmethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(furan-2-ylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(furan-3-ylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(4-methylpentan-2-yl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(oxan-3-yl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
The InChIKey is KRYWWEWWVJICNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S.C16H21N3O2S.C15H20N4O2S.C15H13N3O3S.C15H17N3O3S.C15H13N3O3S/c21-23(22)7-5-12-14(23)4-3-13-15(12)16(20-10-19-13)18-9-11-2-1-6-17-8-11;1-10(2)8-11(3)19-16-15-12-6-7-22(20,21)14(12)5-4-13(15)17-9-18-16;1-10(8-19(2)3)18-15-14-11-6-7-22(20,21)13(11)5-4-12(14)16-9-17-15;19-22(20)6-4-11-13(22)2-1-12-14(11)15(18-9-17-12)16-7-10-3-5-21-8-10;19-22(20)7-5-11-13(22)4-3-12-14(11)15(17-9-16-12)18-10-2-1-6-21-8-10;19-22(20)7-5-11-13(22)4-3-12-14(11)15(18-9-17-12)16-8-10-2-1-6-21-10/h1-4,6,8,10H,5,7,9H2,(H,18,19,20);4-5,9-11H,6-8H2,1-3H3,(H,17,18,19);4-5,9-10H,6-8H2,1-3H3,(H,16,17,18);1-3,5,8-9H,4,6-7H2,(H,16,17,18);3-4,9-10H,1-2,5-8H2,(H,16,17,18);1-4,6,9H,5,7-8H2,(H,16,17,18).
What are the key properties of 2-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine;7,7-dioxo-N-(pyridin-3-ylmethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(furan-2-ylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(furan-3-ylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(4-methylpentan-2-yl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(oxan-3-yl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
2-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine;7,7-dioxo-N-(pyridin-3-ylmethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(furan-2-ylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(furan-3-ylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(4-methylpentan-2-yl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(oxan-3-yl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine has a molecular weight of 1916.32 g/mol, XLogP of 11.97, 19 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine;7,7-dioxo-N-(pyridin-3-ylmethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(furan-2-ylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(furan-3-ylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(4-methylpentan-2-yl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine;N-(oxan-3-yl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine is sourced from PubChem (CID 159223312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).