(5R)-5-[(Z)-1-chloro-2-quinolin-2-ylethenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(E)-1-chloro-2-quinolin-2-ylethenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-fluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrrolo[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione

C109H92Cl2FN21O20 — CID 160595697

About (5R)-5-[(Z)-1-chloro-2-quinolin-2-ylethenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(E)-1-chloro-2-quinolin-2-ylethenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-fluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrrolo[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione

(5R)-5-[(Z)-1-chloro-2-quinolin-2-ylethenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(E)-1-chloro-2-quinolin-2-ylethenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-fluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrrolo[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione (PubChem CID 160595697) has the molecular formula C109H92Cl2FN21O20 and a molecular weight of 2105.97 g/mol. Its IUPAC name is (5R)-5-[(Z)-1-chloro-2-quinolin-2-ylethenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(E)-1-chloro-2-quinolin-2-ylethenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-fluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrrolo[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[(Z)-1-chloro-2-quinolin-2-ylethenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(E)-1-chloro-2-quinolin-2-ylethenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-fluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrrolo[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione
• PubChem CID: 160595697
• Molecular Formula: C109H92Cl2FN21O20
• Molecular Weight: 2105.97 g/mol
• Exact Mass: 2103.62
• IUPAC Name: (5R)-5-[(Z)-1-chloro-2-quinolin-2-ylethenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(E)-1-chloro-2-quinolin-2-ylethenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-fluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrrolo[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(/C(Cl)=C/c3ccc4ccccc4n3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(/C(Cl)=C\c3ccc4ccccc4n3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(CCc3ccc(F)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cccnc4[nH]3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cnccc4[nH]3)NC(=O)NC1=O)C2
• InChI: InChI=1S/2C24H19ClN4O4.C21H20FN3O4.2C20H17N5O4/c2*1-33-17-9-7-15-12-29(21(30)18(15)11-17)13-24(22(31)27-23(32)28-24)20(25)10-16-8-6-14-4-2-3-5-19(14)26-16;1-29-16-7-4-14-11-25(18(26)17(14)10-16)12-21(19(27)23-20(28)24-21)9-8-13-2-5-15(22)6-3-13;1-29-13-3-2-11-9-25(17(26)14(11)7-13)10-20(18(27)23-19(28)24-20)16-6-12-8-21-5-4-15(12)22-16;1-29-13-5-4-12-9-25(17(26)14(12)8-13)10-20(18(27)23-19(28)24-20)15-7-11-3-2-6-21-16(11)22-15/h2*2-11H,12-13H2,1H3,(H2,27,28,31,32);2-7,10H,8-9,11-12H2,1H3,(H2,23,24,27,28);2-8,22H,9-10H2,1H3,(H2,23,24,27,28);2-8H,9-10H2,1H3,(H,21,22)(H2,23,24,27,28)/b20-10+;20-10-;;;/t2*24-;21-;2*20-/m00100/s1
• InChIKey: RDPHIZOGHSNWJC-XBZTVLGESA-N
• XLogP: 10.64
• TPSA: 521.84 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2105.97
LogP ≤ 5	10.64
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(Z)-1-chloro-2-quinolin-2-ylethenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(E)-1-chloro-2-quinolin-2-ylethenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-fluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrrolo[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[(Z)-1-chloro-2-quinolin-2-ylethenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(E)-1-chloro-2-quinolin-2-ylethenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-fluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrrolo[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione (CID 160595697) is (5R)-5-[(Z)-1-chloro-2-quinolin-2-ylethenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(E)-1-chloro-2-quinolin-2-ylethenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-fluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrrolo[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[(Z)-1-chloro-2-quinolin-2-ylethenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(E)-1-chloro-2-quinolin-2-ylethenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-fluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrrolo[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[(Z)-1-chloro-2-quinolin-2-ylethenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(E)-1-chloro-2-quinolin-2-ylethenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-fluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrrolo[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(/C(Cl)=C/c3ccc4ccccc4n3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(/C(Cl)=C\c3ccc4ccccc4n3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(CCc3ccc(F)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cccnc4[nH]3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cnccc4[nH]3)NC(=O)NC1=O)C2.

What is the InChIKey of (5R)-5-[(Z)-1-chloro-2-quinolin-2-ylethenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(E)-1-chloro-2-quinolin-2-ylethenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-fluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrrolo[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione?

The InChIKey is RDPHIZOGHSNWJC-XBZTVLGESA-N. The full InChI is InChI=1S/2C24H19ClN4O4.C21H20FN3O4.2C20H17N5O4/c2*1-33-17-9-7-15-12-29(21(30)18(15)11-17)13-24(22(31)27-23(32)28-24)20(25)10-16-8-6-14-4-2-3-5-19(14)26-16;1-29-16-7-4-14-11-25(18(26)17(14)10-16)12-21(19(27)23-20(28)24-21)9-8-13-2-5-15(22)6-3-13;1-29-13-3-2-11-9-25(17(26)14(11)7-13)10-20(18(27)23-19(28)24-20)16-6-12-8-21-5-4-15(12)22-16;1-29-13-5-4-12-9-25(17(26)14(12)8-13)10-20(18(27)23-19(28)24-20)15-7-11-3-2-6-21-16(11)22-15/h2*2-11H,12-13H2,1H3,(H2,27,28,31,32);2-7,10H,8-9,11-12H2,1H3,(H2,23,24,27,28);2-8,22H,9-10H2,1H3,(H2,23,24,27,28);2-8H,9-10H2,1H3,(H,21,22)(H2,23,24,27,28)/b20-10+;20-10-;;;/t2*24-;21-;2*20-/m00100/s1.

What are the key properties of (5R)-5-[(Z)-1-chloro-2-quinolin-2-ylethenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(E)-1-chloro-2-quinolin-2-ylethenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-fluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrrolo[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione?

(5R)-5-[(Z)-1-chloro-2-quinolin-2-ylethenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(E)-1-chloro-2-quinolin-2-ylethenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-fluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrrolo[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione has a molecular weight of 2105.97 g/mol, XLogP of 10.64, 24 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(Z)-1-chloro-2-quinolin-2-ylethenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(E)-1-chloro-2-quinolin-2-ylethenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-fluorophenyl)ethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrrolo[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 160595697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).