1-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-3-methylpyrrolidine-2,5-dione

C18H16N4O3S — CID 23631957

IUPAC1-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-3-methylpyrrolidine-2,5-dione
SMILESCOc1cccc2nc(-c3cccs3)nc(NN3C(=O)CC(C)C3=O)c12
InChIInChI=1S/C18H16N4O3S/c1-10-9-14(23)22(18(10)24)21-17-15-11(5-3-6-12(15)25-2)19-16(20-17)13-7-4-8-26-13/h3-8,10H,9H2,1-2H3,(H,19,20,21)
InChIKeyPTBFJCLJPIBYAJ-UHFFFAOYSA-N
MW368.42 g/mol
LogP3.09
Rot. Bonds4

About 1-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-3-methylpyrrolidine-2,5-dione

1-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-3-methylpyrrolidine-2,5-dione (PubChem CID 23631957) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is 1-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-3-methylpyrrolidine-2,5-dione
PubChem CID23631957
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Name1-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-3-methylpyrrolidine-2,5-dione
SMILESCOc1cccc2nc(-c3cccs3)nc(NN3C(=O)CC(C)C3=O)c12
InChIInChI=1S/C18H16N4O3S/c1-10-9-14(23)22(18(10)24)21-17-15-11(5-3-6-12(15)25-2)19-16(20-17)13-7-4-8-26-13/h3-8,10H,9H2,1-2H3,(H,19,20,21)
InChIKeyPTBFJCLJPIBYAJ-UHFFFAOYSA-N
XLogP3.09
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-3-methylpyrrolidine-2,5-dione (CID 23631957) is 1-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-3-methylpyrrolidine-2,5-dione is COc1cccc2nc(-c3cccs3)nc(NN3C(=O)CC(C)C3=O)c12.
What is the InChIKey of 1-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-3-methylpyrrolidine-2,5-dione?
The InChIKey is PTBFJCLJPIBYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-10-9-14(23)22(18(10)24)21-17-15-11(5-3-6-12(15)25-2)19-16(20-17)13-7-4-8-26-13/h3-8,10H,9H2,1-2H3,(H,19,20,21).
What are the key properties of 1-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-3-methylpyrrolidine-2,5-dione?
1-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-3-methylpyrrolidine-2,5-dione has a molecular weight of 368.42 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 23631957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).