(2,5-dioxopyrrolidin-1-yl) N-[4-(2-aminoethylcarbamoyl)naphthalen-2-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[3-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) 2-[7-(diethylamino)-2-oxochromen-3-yl]benzimidazole-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 2-(3-ethylpentylcarbamoyl)quinoline-6-carboxylate

C107H115N21O26 — CID 167571176

IUPAC(2,5-dioxopyrrolidin-1-yl) N-[4-(2-aminoethylcarbamoyl)naphthalen-2-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[3-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) 2-[7-(diethylamino)-2-oxochromen-3-yl]benzimidazole-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 2-(3-ethylpentylcarbamoyl)quinoline-6-carboxylate
SMILESCCC(CC)CCNC(=O)c1ccc2cc(C(=O)ON3C(=O)CCC3=O)ccc2n1.CCN(CC)CCNC(=O)c1ccc2cc(NC(=O)ON3C(=O)CCC3=O)ccc2n1.CCN(CC)CCNC(=O)c1cnc2ccc(NC(=O)ON3C(=O)CCC3=O)cc2c1.CCN(CC)c1ccc2cc(-c3nc4ccccc4n3C(=O)ON3C(=O)CCC3=O)c(=O)oc2c1.NCCNC(=O)c1cc(NC(=O)ON2C(=O)CCC2=O)cc2ccccc12
InChIInChI=1S/C25H22N4O6.C22H25N3O5.2C21H25N5O5.C18H18N4O5/c1-3-27(4-2)16-10-9-15-13-17(24(32)34-20(15)14-16)23-26-18-7-5-6-8-19(18)28(23)25(33)35-29-21(30)11-12-22(29)31;1-3-14(4-2)11-12-23-21(28)18-8-5-15-13-16(6-7-17(15)24-18)22(29)30-25-19(26)9-10-20(25)27;1-3-25(4-2)12-11-22-20(29)17-7-5-14-13-15(6-8-16(14)24-17)23-21(30)31-26-18(27)9-10-19(26)28;1-3-25(4-2)10-9-22-20(29)15-11-14-12-16(5-6-17(14)23-13-15)24-21(30)31-26-18(27)7-8-19(26)28;19-7-8-20-17(25)14-10-12(9-11-3-1-2-4-13(11)14)21-18(26)27-22-15(23)5-6-16(22)24/h5-10,13-14H,3-4,11-12H2,1-2H3;5-8,13-14H,3-4,9-12H2,1-2H3,(H,23,28);5-8,13H,3-4,9-12H2,1-2H3,(H,22,29)(H,23,30);5-6,11-13H,3-4,7-10H2,1-2H3,(H,22,29)(H,24,30);1-4,9-10H,5-8,19H2,(H,20,25)(H,21,26)
InChIKeyFXSHOIKBHWDEPI-UHFFFAOYSA-N
MW2111.22 g/mol
LogP11.69
Rot. Bonds34

About (2,5-dioxopyrrolidin-1-yl) N-[4-(2-aminoethylcarbamoyl)naphthalen-2-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[3-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) 2-[7-(diethylamino)-2-oxochromen-3-yl]benzimidazole-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 2-(3-ethylpentylcarbamoyl)quinoline-6-carboxylate

(2,5-dioxopyrrolidin-1-yl) N-[4-(2-aminoethylcarbamoyl)naphthalen-2-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[3-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) 2-[7-(diethylamino)-2-oxochromen-3-yl]benzimidazole-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 2-(3-ethylpentylcarbamoyl)quinoline-6-carboxylate (PubChem CID 167571176) has the molecular formula C107H115N21O26 and a molecular weight of 2111.22 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) N-[4-(2-aminoethylcarbamoyl)naphthalen-2-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[3-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) 2-[7-(diethylamino)-2-oxochromen-3-yl]benzimidazole-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 2-(3-ethylpentylcarbamoyl)quinoline-6-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) N-[4-(2-aminoethylcarbamoyl)naphthalen-2-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[3-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) 2-[7-(diethylamino)-2-oxochromen-3-yl]benzimidazole-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 2-(3-ethylpentylcarbamoyl)quinoline-6-carboxylate
PubChem CID167571176
Molecular FormulaC107H115N21O26
Molecular Weight2111.22 g/mol
Exact Mass2109.83
IUPAC Name(2,5-dioxopyrrolidin-1-yl) N-[4-(2-aminoethylcarbamoyl)naphthalen-2-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[3-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) 2-[7-(diethylamino)-2-oxochromen-3-yl]benzimidazole-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 2-(3-ethylpentylcarbamoyl)quinoline-6-carboxylate
SMILESCCC(CC)CCNC(=O)c1ccc2cc(C(=O)ON3C(=O)CCC3=O)ccc2n1.CCN(CC)CCNC(=O)c1ccc2cc(NC(=O)ON3C(=O)CCC3=O)ccc2n1.CCN(CC)CCNC(=O)c1cnc2ccc(NC(=O)ON3C(=O)CCC3=O)cc2c1.CCN(CC)c1ccc2cc(-c3nc4ccccc4n3C(=O)ON3C(=O)CCC3=O)c(=O)oc2c1.NCCNC(=O)c1cc(NC(=O)ON2C(=O)CCC2=O)cc2ccccc12
InChIInChI=1S/C25H22N4O6.C22H25N3O5.2C21H25N5O5.C18H18N4O5/c1-3-27(4-2)16-10-9-15-13-17(24(32)34-20(15)14-16)23-26-18-7-5-6-8-19(18)28(23)25(33)35-29-21(30)11-12-22(29)31;1-3-14(4-2)11-12-23-21(28)18-8-5-15-13-16(6-7-17(15)24-18)22(29)30-25-19(26)9-10-20(25)27;1-3-25(4-2)12-11-22-20(29)17-7-5-14-13-15(6-8-16(14)24-17)23-21(30)31-26-18(27)9-10-19(26)28;1-3-25(4-2)10-9-22-20(29)15-11-14-12-16(5-6-17(14)23-13-15)24-21(30)31-26-18(27)7-8-19(26)28;19-7-8-20-17(25)14-10-12(9-11-3-1-2-4-13(11)14)21-18(26)27-22-15(23)5-6-16(22)24/h5-10,13-14H,3-4,11-12H2,1-2H3;5-8,13-14H,3-4,9-12H2,1-2H3,(H,23,28);5-8,13H,3-4,9-12H2,1-2H3,(H,22,29)(H,23,30);5-6,11-13H,3-4,7-10H2,1-2H3,(H,22,29)(H,24,30);1-4,9-10H,5-8,19H2,(H,20,25)(H,21,26)
InChIKeyFXSHOIKBHWDEPI-UHFFFAOYSA-N
XLogP11.69
TPSA593.33 Ų
H-Bond Donors8
H-Bond Acceptors35
Rotatable Bonds34
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002111.22
LogP ≤ 511.69
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2,5-dioxopyrrolidin-1-yl) N-[4-(2-aminoethylcarbamoyl)naphthalen-2-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[3-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) 2-[7-(diethylamino)-2-oxochromen-3-yl]benzimidazole-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 2-(3-ethylpentylcarbamoyl)quinoline-6-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-[4-(2-aminoethylcarbamoyl)naphthalen-2-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[3-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) 2-[7-(diethylamino)-2-oxochromen-3-yl]benzimidazole-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 2-(3-ethylpentylcarbamoyl)quinoline-6-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-[4-(2-aminoethylcarbamoyl)naphthalen-2-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[3-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) 2-[7-(diethylamino)-2-oxochromen-3-yl]benzimidazole-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 2-(3-ethylpentylcarbamoyl)quinoline-6-carboxylate (CID 167571176) is (2,5-dioxopyrrolidin-1-yl) N-[4-(2-aminoethylcarbamoyl)naphthalen-2-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[3-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) 2-[7-(diethylamino)-2-oxochromen-3-yl]benzimidazole-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 2-(3-ethylpentylcarbamoyl)quinoline-6-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) N-[4-(2-aminoethylcarbamoyl)naphthalen-2-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[3-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) 2-[7-(diethylamino)-2-oxochromen-3-yl]benzimidazole-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 2-(3-ethylpentylcarbamoyl)quinoline-6-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) N-[4-(2-aminoethylcarbamoyl)naphthalen-2-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[3-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) 2-[7-(diethylamino)-2-oxochromen-3-yl]benzimidazole-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 2-(3-ethylpentylcarbamoyl)quinoline-6-carboxylate is CCC(CC)CCNC(=O)c1ccc2cc(C(=O)ON3C(=O)CCC3=O)ccc2n1.CCN(CC)CCNC(=O)c1ccc2cc(NC(=O)ON3C(=O)CCC3=O)ccc2n1.CCN(CC)CCNC(=O)c1cnc2ccc(NC(=O)ON3C(=O)CCC3=O)cc2c1.CCN(CC)c1ccc2cc(-c3nc4ccccc4n3C(=O)ON3C(=O)CCC3=O)c(=O)oc2c1.NCCNC(=O)c1cc(NC(=O)ON2C(=O)CCC2=O)cc2ccccc12.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) N-[4-(2-aminoethylcarbamoyl)naphthalen-2-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[3-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) 2-[7-(diethylamino)-2-oxochromen-3-yl]benzimidazole-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 2-(3-ethylpentylcarbamoyl)quinoline-6-carboxylate?
The InChIKey is FXSHOIKBHWDEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O6.C22H25N3O5.2C21H25N5O5.C18H18N4O5/c1-3-27(4-2)16-10-9-15-13-17(24(32)34-20(15)14-16)23-26-18-7-5-6-8-19(18)28(23)25(33)35-29-21(30)11-12-22(29)31;1-3-14(4-2)11-12-23-21(28)18-8-5-15-13-16(6-7-17(15)24-18)22(29)30-25-19(26)9-10-20(25)27;1-3-25(4-2)12-11-22-20(29)17-7-5-14-13-15(6-8-16(14)24-17)23-21(30)31-26-18(27)9-10-19(26)28;1-3-25(4-2)10-9-22-20(29)15-11-14-12-16(5-6-17(14)23-13-15)24-21(30)31-26-18(27)7-8-19(26)28;19-7-8-20-17(25)14-10-12(9-11-3-1-2-4-13(11)14)21-18(26)27-22-15(23)5-6-16(22)24/h5-10,13-14H,3-4,11-12H2,1-2H3;5-8,13-14H,3-4,9-12H2,1-2H3,(H,23,28);5-8,13H,3-4,9-12H2,1-2H3,(H,22,29)(H,23,30);5-6,11-13H,3-4,7-10H2,1-2H3,(H,22,29)(H,24,30);1-4,9-10H,5-8,19H2,(H,20,25)(H,21,26).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) N-[4-(2-aminoethylcarbamoyl)naphthalen-2-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[3-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) 2-[7-(diethylamino)-2-oxochromen-3-yl]benzimidazole-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 2-(3-ethylpentylcarbamoyl)quinoline-6-carboxylate?
(2,5-dioxopyrrolidin-1-yl) N-[4-(2-aminoethylcarbamoyl)naphthalen-2-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[3-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) 2-[7-(diethylamino)-2-oxochromen-3-yl]benzimidazole-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 2-(3-ethylpentylcarbamoyl)quinoline-6-carboxylate has a molecular weight of 2111.22 g/mol, XLogP of 11.69, 34 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) N-[4-(2-aminoethylcarbamoyl)naphthalen-2-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[3-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) 2-[7-(diethylamino)-2-oxochromen-3-yl]benzimidazole-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 2-(3-ethylpentylcarbamoyl)quinoline-6-carboxylate is sourced from PubChem (CID 167571176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).