3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(2-phenylpropyl)-N-prop-2-enyl-4H-quinazoline-7-carboxamide

C28H34N4O2 — CID 45488643

IUPAC3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(2-phenylpropyl)-N-prop-2-enyl-4H-quinazoline-7-carboxamide
SMILESC=CCNC(=O)c1ccc2c(c1)N=C(CC(C)c1ccccc1)N(CCCN1CCCC1=O)C2
InChIInChI=1S/C28H34N4O2/c1-3-14-29-28(34)23-12-13-24-20-32(17-8-16-31-15-7-11-27(31)33)26(30-25(24)19-23)18-21(2)22-9-5-4-6-10-22/h3-6,9-10,12-13,19,21H,1,7-8,11,14-18,20H2,2H3,(H,29,34)
InChIKeySGUQLSWUOXPURT-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.65
Rot. Bonds10

About 3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(2-phenylpropyl)-N-prop-2-enyl-4H-quinazoline-7-carboxamide

3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(2-phenylpropyl)-N-prop-2-enyl-4H-quinazoline-7-carboxamide (PubChem CID 45488643) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(2-phenylpropyl)-N-prop-2-enyl-4H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(2-phenylpropyl)-N-prop-2-enyl-4H-quinazoline-7-carboxamide
PubChem CID45488643
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC Name3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(2-phenylpropyl)-N-prop-2-enyl-4H-quinazoline-7-carboxamide
SMILESC=CCNC(=O)c1ccc2c(c1)N=C(CC(C)c1ccccc1)N(CCCN1CCCC1=O)C2
InChIInChI=1S/C28H34N4O2/c1-3-14-29-28(34)23-12-13-24-20-32(17-8-16-31-15-7-11-27(31)33)26(30-25(24)19-23)18-21(2)22-9-5-4-6-10-22/h3-6,9-10,12-13,19,21H,1,7-8,11,14-18,20H2,2H3,(H,29,34)
InChIKeySGUQLSWUOXPURT-UHFFFAOYSA-N
XLogP4.65
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(2-phenylpropyl)-N-prop-2-enyl-4H-quinazoline-7-carboxamide 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 3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(2-phenylpropyl)-N-prop-2-enyl-4H-quinazoline-7-carboxamide?
The IUPAC name of 3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(2-phenylpropyl)-N-prop-2-enyl-4H-quinazoline-7-carboxamide (CID 45488643) is 3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(2-phenylpropyl)-N-prop-2-enyl-4H-quinazoline-7-carboxamide.
What is the SMILES notation for 3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(2-phenylpropyl)-N-prop-2-enyl-4H-quinazoline-7-carboxamide?
The canonical SMILES for 3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(2-phenylpropyl)-N-prop-2-enyl-4H-quinazoline-7-carboxamide is C=CCNC(=O)c1ccc2c(c1)N=C(CC(C)c1ccccc1)N(CCCN1CCCC1=O)C2.
What is the InChIKey of 3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(2-phenylpropyl)-N-prop-2-enyl-4H-quinazoline-7-carboxamide?
The InChIKey is SGUQLSWUOXPURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-3-14-29-28(34)23-12-13-24-20-32(17-8-16-31-15-7-11-27(31)33)26(30-25(24)19-23)18-21(2)22-9-5-4-6-10-22/h3-6,9-10,12-13,19,21H,1,7-8,11,14-18,20H2,2H3,(H,29,34).
What are the key properties of 3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(2-phenylpropyl)-N-prop-2-enyl-4H-quinazoline-7-carboxamide?
3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(2-phenylpropyl)-N-prop-2-enyl-4H-quinazoline-7-carboxamide has a molecular weight of 458.61 g/mol, XLogP of 4.65, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(2-phenylpropyl)-N-prop-2-enyl-4H-quinazoline-7-carboxamide is sourced from PubChem (CID 45488643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).