N-[3-acetamido-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;acetyl acetate;N-acetyl-N-[3-amino-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-acetyl-N-[3-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-[3-amino-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-[1-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-3-yl]acetamide;7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine

C136H114F18N30O15 — CID 158779725

IUPACN-[3-acetamido-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;acetyl acetate;N-acetyl-N-[3-amino-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-acetyl-N-[3-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-[3-amino-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-[1-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-3-yl]acetamide;7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESCC(=O)N(C(C)=O)c1nc(N(C(C)=O)C(C)=O)c2c(ccc3c2ccn3Cc2ccccc2C(F)(F)F)n1.CC(=O)N(C(C)=O)c1nc(N)nc2ccc3c(ccn3Cc3ccccc3C(F)(F)F)c12.CC(=O)Nc1nc(N(C(C)=O)C(C)=O)c2c(ccc3c2ccn3Cc2ccccc2C(F)(F)F)n1.CC(=O)Nc1nc(N)nc2ccc3c(ccn3Cc3ccccc3C(F)(F)F)c12.CC(=O)Nc1nc(NC(C)=O)c2c(ccc3c2ccn3Cc2ccccc2C(F)(F)F)n1.CC(=O)OC(C)=O.Nc1nc(N)c2c(ccc3c2ccn3Cc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C26H22F3N5O4.C24H20F3N5O3.2C22H18F3N5O2.C20H16F3N5O.C18H14F3N5.C4H6O3/c1-14(35)33(15(2)36)24-23-19-11-12-32(13-18-7-5-6-8-20(18)26(27,28)29)22(19)10-9-21(23)30-25(31-24)34(16(3)37)17(4)38;1-13(33)28-23-29-19-8-9-20-17(21(19)22(30-23)32(14(2)34)15(3)35)10-11-31(20)12-16-6-4-5-7-18(16)24(25,26)27;1-12(31)30(13(2)32)20-19-15-9-10-29(18(15)8-7-17(19)27-21(26)28-20)11-14-5-3-4-6-16(14)22(23,24)25;1-12(31)26-20-19-15-9-10-30(11-14-5-3-4-6-16(14)22(23,24)25)18(15)8-7-17(19)28-21(29-20)27-13(2)32;1-11(29)25-18-17-13-8-9-28(16(13)7-6-15(17)26-19(24)27-18)10-12-4-2-3-5-14(12)20(21,22)23;19-18(20,21)12-4-2-1-3-10(12)9-26-8-7-11-14(26)6-5-13-15(11)16(22)25-17(23)24-13;1-3(5)7-4(2)6/h5-12H,13H2,1-4H3;4-11H,12H2,1-3H3,(H,28,29,30,33);3-10H,11H2,1-2H3,(H2,26,27,28);3-10H,11H2,1-2H3,(H2,26,27,28,29,31,32);2-9H,10H2,1H3,(H3,24,25,26,27,29);1-8H,9H2,(H4,22,23,24,25);1-2H3
InChIKeyIQXOIRPAVKQXDP-UHFFFAOYSA-N
MW2750.57 g/mol
LogP25.77
Rot. Bonds20

About N-[3-acetamido-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;acetyl acetate;N-acetyl-N-[3-amino-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-acetyl-N-[3-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-[3-amino-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-[1-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-3-yl]acetamide;7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine

N-[3-acetamido-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;acetyl acetate;N-acetyl-N-[3-amino-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-acetyl-N-[3-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-[3-amino-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-[1-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-3-yl]acetamide;7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine (PubChem CID 158779725) has the molecular formula C136H114F18N30O15 and a molecular weight of 2750.57 g/mol. Its IUPAC name is N-[3-acetamido-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;acetyl acetate;N-acetyl-N-[3-amino-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-acetyl-N-[3-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-[3-amino-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-[1-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-3-yl]acetamide;7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine.

Molecular Properties

Compound NameN-[3-acetamido-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;acetyl acetate;N-acetyl-N-[3-amino-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-acetyl-N-[3-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-[3-amino-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-[1-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-3-yl]acetamide;7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
PubChem CID158779725
Molecular FormulaC136H114F18N30O15
Molecular Weight2750.57 g/mol
Exact Mass2748.88
IUPAC NameN-[3-acetamido-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;acetyl acetate;N-acetyl-N-[3-amino-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-acetyl-N-[3-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-[3-amino-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-[1-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-3-yl]acetamide;7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESCC(=O)N(C(C)=O)c1nc(N(C(C)=O)C(C)=O)c2c(ccc3c2ccn3Cc2ccccc2C(F)(F)F)n1.CC(=O)N(C(C)=O)c1nc(N)nc2ccc3c(ccn3Cc3ccccc3C(F)(F)F)c12.CC(=O)Nc1nc(N(C(C)=O)C(C)=O)c2c(ccc3c2ccn3Cc2ccccc2C(F)(F)F)n1.CC(=O)Nc1nc(N)nc2ccc3c(ccn3Cc3ccccc3C(F)(F)F)c12.CC(=O)Nc1nc(NC(C)=O)c2c(ccc3c2ccn3Cc2ccccc2C(F)(F)F)n1.CC(=O)OC(C)=O.Nc1nc(N)c2c(ccc3c2ccn3Cc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C26H22F3N5O4.C24H20F3N5O3.2C22H18F3N5O2.C20H16F3N5O.C18H14F3N5.C4H6O3/c1-14(35)33(15(2)36)24-23-19-11-12-32(13-18-7-5-6-8-20(18)26(27,28)29)22(19)10-9-21(23)30-25(31-24)34(16(3)37)17(4)38;1-13(33)28-23-29-19-8-9-20-17(21(19)22(30-23)32(14(2)34)15(3)35)10-11-31(20)12-16-6-4-5-7-18(16)24(25,26)27;1-12(31)30(13(2)32)20-19-15-9-10-29(18(15)8-7-17(19)27-21(26)28-20)11-14-5-3-4-6-16(14)22(23,24)25;1-12(31)26-20-19-15-9-10-30(11-14-5-3-4-6-16(14)22(23,24)25)18(15)8-7-17(19)28-21(29-20)27-13(2)32;1-11(29)25-18-17-13-8-9-28(16(13)7-6-15(17)26-19(24)27-18)10-12-4-2-3-5-14(12)20(21,22)23;19-18(20,21)12-4-2-1-3-10(12)9-26-8-7-11-14(26)6-5-13-15(11)16(22)25-17(23)24-13;1-3(5)7-4(2)6/h5-12H,13H2,1-4H3;4-11H,12H2,1-3H3,(H,28,29,30,33);3-10H,11H2,1-2H3,(H2,26,27,28);3-10H,11H2,1-2H3,(H2,26,27,28,29,31,32);2-9H,10H2,1H3,(H3,24,25,26,27,29);1-8H,9H2,(H4,22,23,24,25);1-2H3
InChIKeyIQXOIRPAVKQXDP-UHFFFAOYSA-N
XLogP25.77
TPSA597.63 Ų
H-Bond Donors8
H-Bond Acceptors37
Rotatable Bonds20
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002750.57
LogP ≤ 525.77
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-[3-acetamido-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;acetyl acetate;N-acetyl-N-[3-amino-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-acetyl-N-[3-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-[3-amino-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-[1-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-3-yl]acetamide;7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine with MolForge

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Related Compounds

7-cyclopropyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-yl-2,3-dihydroindole;7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;N-[5-[7-(difluoromethyl)-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide;7-ethenyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;7-ethyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;7-methyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-(1-methylpyrazol-4-yl)-1-propan-2-yl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline
CID 158178477
1-[1-Amino-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-3-yl]pyrrolidine-2,5-dione;1-[1-(2,5-dioxocyclopentyl)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-3-yl]pyrrolidine-2,5-dione;oxolane-2,5-dione;7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 158399309
tert-butyl N-[1-[3-[(E)-3-(1H-indol-5-ylamino)-3-oxoprop-1-enyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;(E)-3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)prop-2-enamide;(E)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
CID 158751700
1,3-Bis[6-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]benzimidazol-2-one;1,3-bis(6-carbazol-9-yl-2-pyridinyl)-5-(trifluoromethyl)benzimidazol-2-one;1,3-bis(6-pyridin-2-yl-2-pyridinyl)benzimidazol-2-one;1-[4-[2-oxo-3-[4-(2-oxo-3-phenylbenzimidazol-1-yl)phenyl]benzimidazol-1-yl]phenyl]-3-phenylbenzimidazol-2-one;1-[6-[2-oxo-3-[6-(2-oxo-3-phenylbenzimidazol-1-yl)-2-pyridinyl]benzimidazol-1-yl]-2-pyridinyl]-3-phenylbenzimidazol-2-one;1-[6-[6-(2-oxo-3-phenylbenzimidazol-1-yl)-2-pyridinyl]-2-pyridinyl]-3-phenylbenzimidazol-2-one;1-[6-[6-[6-(2-oxo-3-phenylbenzimidazol-1-yl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-3-phenylbenzimidazol-2-one;1-[6-[6-[2-oxo-3-(6-pyridin-2-yl-2-pyridinyl)benzimidazol-1-yl]-2-pyridinyl]-2-pyridinyl]-3-(6-pyridin-2-yl-2-pyridinyl)benzimidazol-2-one
CID 158775156
8-(2-aminopyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(3H-indol-6-yl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;sulfur dioxide
CID 158880530
2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-(4,5,6-trifluoropyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(5-fluoropyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))
CID 159694787
2-Fluoro-4-[3-(trifluoromethyl)benzene-6-id-1-yl]quinazoline;pentakis(iridium);3-phenylisoquinoline;2-phenylpyridine;2-phenylquinazoline;tris(4-phenylquinazoline);4-[3-(trifluoromethyl)benzene-6-id-1-yl]quinazoline
CID 159937182
2,7-bis[[4-(1,1,2,2,2-pentafluoroethyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-difluoro-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]oxy]-7-[[9-pyridin-2-yl-4-(1,1,1-trifluoropropan-2-yl)-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3-methyl-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-pyrimidin-2-yl-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))
CID 160044615
2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(4,4,4-trifluorobutan-2-yl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(3,3,3-trifluoro-2-methylpropyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;9-(5-ethylpyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))
CID 160821379
2,7-bis[[4-(difluoromethyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(4-fluoro-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[9-pyridin-2-yl-4-(2,2,2-trifluoroethyl)-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[(4-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-7-[[9-pyridin-2-yl-4-(trifluoromethyl)-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))
CID 161053596
9-(4,6-difluoropyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-(4,6-difluoro-1,3,5-triazin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trideuteriomethyl)-1,3,5-triazin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))
CID 161064727
2,7-bis[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-7-[[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))
CID 161605569

Frequently Asked Questions

What is the IUPAC name of N-[3-acetamido-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;acetyl acetate;N-acetyl-N-[3-amino-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-acetyl-N-[3-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-[3-amino-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-[1-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-3-yl]acetamide;7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine?
The IUPAC name of N-[3-acetamido-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;acetyl acetate;N-acetyl-N-[3-amino-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-acetyl-N-[3-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-[3-amino-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-[1-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-3-yl]acetamide;7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine (CID 158779725) is N-[3-acetamido-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;acetyl acetate;N-acetyl-N-[3-amino-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-acetyl-N-[3-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-[3-amino-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-[1-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-3-yl]acetamide;7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine.
What is the SMILES notation for N-[3-acetamido-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;acetyl acetate;N-acetyl-N-[3-amino-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-acetyl-N-[3-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-[3-amino-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-[1-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-3-yl]acetamide;7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine?
The canonical SMILES for N-[3-acetamido-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;acetyl acetate;N-acetyl-N-[3-amino-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-acetyl-N-[3-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-[3-amino-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-[1-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-3-yl]acetamide;7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine is CC(=O)N(C(C)=O)c1nc(N(C(C)=O)C(C)=O)c2c(ccc3c2ccn3Cc2ccccc2C(F)(F)F)n1.CC(=O)N(C(C)=O)c1nc(N)nc2ccc3c(ccn3Cc3ccccc3C(F)(F)F)c12.CC(=O)Nc1nc(N(C(C)=O)C(C)=O)c2c(ccc3c2ccn3Cc2ccccc2C(F)(F)F)n1.CC(=O)Nc1nc(N)nc2ccc3c(ccn3Cc3ccccc3C(F)(F)F)c12.CC(=O)Nc1nc(NC(C)=O)c2c(ccc3c2ccn3Cc2ccccc2C(F)(F)F)n1.CC(=O)OC(C)=O.Nc1nc(N)c2c(ccc3c2ccn3Cc2ccccc2C(F)(F)F)n1.
What is the InChIKey of N-[3-acetamido-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;acetyl acetate;N-acetyl-N-[3-amino-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-acetyl-N-[3-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-[3-amino-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-[1-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-3-yl]acetamide;7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine?
The InChIKey is IQXOIRPAVKQXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N5O4.C24H20F3N5O3.2C22H18F3N5O2.C20H16F3N5O.C18H14F3N5.C4H6O3/c1-14(35)33(15(2)36)24-23-19-11-12-32(13-18-7-5-6-8-20(18)26(27,28)29)22(19)10-9-21(23)30-25(31-24)34(16(3)37)17(4)38;1-13(33)28-23-29-19-8-9-20-17(21(19)22(30-23)32(14(2)34)15(3)35)10-11-31(20)12-16-6-4-5-7-18(16)24(25,26)27;1-12(31)30(13(2)32)20-19-15-9-10-29(18(15)8-7-17(19)27-21(26)28-20)11-14-5-3-4-6-16(14)22(23,24)25;1-12(31)26-20-19-15-9-10-30(11-14-5-3-4-6-16(14)22(23,24)25)18(15)8-7-17(19)28-21(29-20)27-13(2)32;1-11(29)25-18-17-13-8-9-28(16(13)7-6-15(17)26-19(24)27-18)10-12-4-2-3-5-14(12)20(21,22)23;19-18(20,21)12-4-2-1-3-10(12)9-26-8-7-11-14(26)6-5-13-15(11)16(22)25-17(23)24-13;1-3(5)7-4(2)6/h5-12H,13H2,1-4H3;4-11H,12H2,1-3H3,(H,28,29,30,33);3-10H,11H2,1-2H3,(H2,26,27,28);3-10H,11H2,1-2H3,(H2,26,27,28,29,31,32);2-9H,10H2,1H3,(H3,24,25,26,27,29);1-8H,9H2,(H4,22,23,24,25);1-2H3.
What are the key properties of N-[3-acetamido-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;acetyl acetate;N-acetyl-N-[3-amino-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-acetyl-N-[3-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-[3-amino-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-[1-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-3-yl]acetamide;7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine?
N-[3-acetamido-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;acetyl acetate;N-acetyl-N-[3-amino-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-acetyl-N-[3-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-[3-amino-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-[1-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-3-yl]acetamide;7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine has a molecular weight of 2750.57 g/mol, XLogP of 25.77, 20 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetamido-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;acetyl acetate;N-acetyl-N-[3-amino-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-acetyl-N-[3-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-[3-amino-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide;N-[1-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-3-yl]acetamide;7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine is sourced from PubChem (CID 158779725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).