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

C71H53F9N14O9 — CID 158399309

IUPAC1-[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
SMILESNc1nc(N)c2c(ccc3c2ccn3Cc2ccccc2C(F)(F)F)n1.Nc1nc(N2C(=O)CCC2=O)nc2ccc3c(ccn3Cc3ccccc3C(F)(F)F)c12.O=C1CCC(=O)C1c1nc(N2C(=O)CCC2=O)nc2ccc3c(ccn3Cc3ccccc3C(F)(F)F)c12.O=C1CCC(=O)O1
InChIInChI=1S/C27H19F3N4O4.C22H16F3N5O2.C18H14F3N5.C4H4O3/c28-27(29,30)16-4-2-1-3-14(16)13-33-12-11-15-18(33)6-5-17-23(15)25(24-19(35)7-8-20(24)36)32-26(31-17)34-21(37)9-10-22(34)38;23-22(24,25)14-4-2-1-3-12(14)11-29-10-9-13-16(29)6-5-15-19(13)20(26)28-21(27-15)30-17(31)7-8-18(30)32;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;5-3-1-2-4(6)7-3/h1-6,11-12,24H,7-10,13H2;1-6,9-10H,7-8,11H2,(H2,26,27,28);1-8H,9H2,(H4,22,23,24,25);1-2H2
InChIKeyGXXFVZMYZLTFAJ-UHFFFAOYSA-N
MW1417.28 g/mol
LogP11.87
Rot. Bonds9

About 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

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 (PubChem CID 158399309) has the molecular formula C71H53F9N14O9 and a molecular weight of 1417.28 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID158399309
Molecular FormulaC71H53F9N14O9
Molecular Weight1417.28 g/mol
Exact Mass1416.40
IUPAC Name1-[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
SMILESNc1nc(N)c2c(ccc3c2ccn3Cc2ccccc2C(F)(F)F)n1.Nc1nc(N2C(=O)CCC2=O)nc2ccc3c(ccn3Cc3ccccc3C(F)(F)F)c12.O=C1CCC(=O)C1c1nc(N2C(=O)CCC2=O)nc2ccc3c(ccn3Cc3ccccc3C(F)(F)F)c12.O=C1CCC(=O)O1
InChIInChI=1S/C27H19F3N4O4.C22H16F3N5O2.C18H14F3N5.C4H4O3/c28-27(29,30)16-4-2-1-3-14(16)13-33-12-11-15-18(33)6-5-17-23(15)25(24-19(35)7-8-20(24)36)32-26(31-17)34-21(37)9-10-22(34)38;23-22(24,25)14-4-2-1-3-12(14)11-29-10-9-13-16(29)6-5-15-19(13)20(26)28-21(27-15)30-17(31)7-8-18(30)32;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;5-3-1-2-4(6)7-3/h1-6,11-12,24H,7-10,13H2;1-6,9-10H,7-8,11H2,(H2,26,27,28);1-8H,9H2,(H4,22,23,24,25);1-2H2
InChIKeyGXXFVZMYZLTFAJ-UHFFFAOYSA-N
XLogP11.87
TPSA322.46 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds9
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001417.28
LogP ≤ 511.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Nc1nc(N)c2c(ccc3c2ccn3Cc2ccccc2C(F)(F)F)n1.Nc1nc(N2C(=O)CCC2=O)nc2ccc3c(ccn3Cc3ccccc3C(F)(F)F)c12.O=C1CCC(=O)C1c1nc(N2C(=O)CCC2=O)nc2ccc3c(ccn3Cc3ccccc3C(F)(F)F)c12.O=C1CCC(=O)O1.
What is the InChIKey of 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?
The InChIKey is GXXFVZMYZLTFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F3N4O4.C22H16F3N5O2.C18H14F3N5.C4H4O3/c28-27(29,30)16-4-2-1-3-14(16)13-33-12-11-15-18(33)6-5-17-23(15)25(24-19(35)7-8-20(24)36)32-26(31-17)34-21(37)9-10-22(34)38;23-22(24,25)14-4-2-1-3-12(14)11-29-10-9-13-16(29)6-5-15-19(13)20(26)28-21(27-15)30-17(31)7-8-18(30)32;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;5-3-1-2-4(6)7-3/h1-6,11-12,24H,7-10,13H2;1-6,9-10H,7-8,11H2,(H2,26,27,28);1-8H,9H2,(H4,22,23,24,25);1-2H2.
What are the key properties of 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?
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 has a molecular weight of 1417.28 g/mol, XLogP of 11.87, 9 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158399309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).