3-(2-methoxyphenyl)-4-(quinolin-8-ylamino)pyrrole-2,5-dione

C20H15N3O3 — CID 164620692

IUPAC3-(2-methoxyphenyl)-4-(quinolin-8-ylamino)pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(Nc2cccc3cccnc23)C(=O)NC1=O
InChIInChI=1S/C20H15N3O3/c1-26-15-10-3-2-8-13(15)16-18(20(25)23-19(16)24)22-14-9-4-6-12-7-5-11-21-17(12)14/h2-11H,1H3,(H2,22,23,24,25)
InChIKeyZZHQVFGHSCTUGB-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.72
Rot. Bonds4

About 3-(2-methoxyphenyl)-4-(quinolin-8-ylamino)pyrrole-2,5-dione

3-(2-methoxyphenyl)-4-(quinolin-8-ylamino)pyrrole-2,5-dione (PubChem CID 164620692) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-4-(quinolin-8-ylamino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-4-(quinolin-8-ylamino)pyrrole-2,5-dione
PubChem CID164620692
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name3-(2-methoxyphenyl)-4-(quinolin-8-ylamino)pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(Nc2cccc3cccnc23)C(=O)NC1=O
InChIInChI=1S/C20H15N3O3/c1-26-15-10-3-2-8-13(15)16-18(20(25)23-19(16)24)22-14-9-4-6-12-7-5-11-21-17(12)14/h2-11H,1H3,(H2,22,23,24,25)
InChIKeyZZHQVFGHSCTUGB-UHFFFAOYSA-N
XLogP2.72
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-4-(quinolin-8-ylamino)pyrrole-2,5-dione?
The IUPAC name of 3-(2-methoxyphenyl)-4-(quinolin-8-ylamino)pyrrole-2,5-dione (CID 164620692) is 3-(2-methoxyphenyl)-4-(quinolin-8-ylamino)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2-methoxyphenyl)-4-(quinolin-8-ylamino)pyrrole-2,5-dione?
The canonical SMILES for 3-(2-methoxyphenyl)-4-(quinolin-8-ylamino)pyrrole-2,5-dione is COc1ccccc1C1=C(Nc2cccc3cccnc23)C(=O)NC1=O.
What is the InChIKey of 3-(2-methoxyphenyl)-4-(quinolin-8-ylamino)pyrrole-2,5-dione?
The InChIKey is ZZHQVFGHSCTUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c1-26-15-10-3-2-8-13(15)16-18(20(25)23-19(16)24)22-14-9-4-6-12-7-5-11-21-17(12)14/h2-11H,1H3,(H2,22,23,24,25).
What are the key properties of 3-(2-methoxyphenyl)-4-(quinolin-8-ylamino)pyrrole-2,5-dione?
3-(2-methoxyphenyl)-4-(quinolin-8-ylamino)pyrrole-2,5-dione has a molecular weight of 345.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-4-(quinolin-8-ylamino)pyrrole-2,5-dione is sourced from PubChem (CID 164620692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).