3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-1-[(4-methoxyphenyl)methoxy]quinazoline-2,4-dione

C24H27N3O6 — CID 101334413

IUPAC3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-1-[(4-methoxyphenyl)methoxy]quinazoline-2,4-dione
SMILESCOc1ccc(COn2c(=O)n(CC(=O)C[C@H]3NCCC[C@@H]3O)c(=O)c3ccccc32)cc1
InChIInChI=1S/C24H27N3O6/c1-32-18-10-8-16(9-11-18)15-33-27-21-6-3-2-5-19(21)23(30)26(24(27)31)14-17(28)13-20-22(29)7-4-12-25-20/h2-3,5-6,8-11,20,22,25,29H,4,7,12-15H2,1H3/t20-,22+/m1/s1
InChIKeyXRLTXTOMNLYIAP-IRLDBZIGSA-N
MW453.50 g/mol
LogP0.87
Rot. Bonds8

About 3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-1-[(4-methoxyphenyl)methoxy]quinazoline-2,4-dione

3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-1-[(4-methoxyphenyl)methoxy]quinazoline-2,4-dione (PubChem CID 101334413) has the molecular formula C24H27N3O6 and a molecular weight of 453.50 g/mol. Its IUPAC name is 3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-1-[(4-methoxyphenyl)methoxy]quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-1-[(4-methoxyphenyl)methoxy]quinazoline-2,4-dione
PubChem CID101334413
Molecular FormulaC24H27N3O6
Molecular Weight453.50 g/mol
Exact Mass453.19
IUPAC Name3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-1-[(4-methoxyphenyl)methoxy]quinazoline-2,4-dione
SMILESCOc1ccc(COn2c(=O)n(CC(=O)C[C@H]3NCCC[C@@H]3O)c(=O)c3ccccc32)cc1
InChIInChI=1S/C24H27N3O6/c1-32-18-10-8-16(9-11-18)15-33-27-21-6-3-2-5-19(21)23(30)26(24(27)31)14-17(28)13-20-22(29)7-4-12-25-20/h2-3,5-6,8-11,20,22,25,29H,4,7,12-15H2,1H3/t20-,22+/m1/s1
InChIKeyXRLTXTOMNLYIAP-IRLDBZIGSA-N
XLogP0.87
TPSA111.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-1-[(4-methoxyphenyl)methoxy]quinazoline-2,4-dione 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-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-1-[(4-methoxyphenyl)methoxy]quinazoline-2,4-dione?
The IUPAC name of 3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-1-[(4-methoxyphenyl)methoxy]quinazoline-2,4-dione (CID 101334413) is 3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-1-[(4-methoxyphenyl)methoxy]quinazoline-2,4-dione.
What is the SMILES notation for 3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-1-[(4-methoxyphenyl)methoxy]quinazoline-2,4-dione?
The canonical SMILES for 3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-1-[(4-methoxyphenyl)methoxy]quinazoline-2,4-dione is COc1ccc(COn2c(=O)n(CC(=O)C[C@H]3NCCC[C@@H]3O)c(=O)c3ccccc32)cc1.
What is the InChIKey of 3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-1-[(4-methoxyphenyl)methoxy]quinazoline-2,4-dione?
The InChIKey is XRLTXTOMNLYIAP-IRLDBZIGSA-N. The full InChI is InChI=1S/C24H27N3O6/c1-32-18-10-8-16(9-11-18)15-33-27-21-6-3-2-5-19(21)23(30)26(24(27)31)14-17(28)13-20-22(29)7-4-12-25-20/h2-3,5-6,8-11,20,22,25,29H,4,7,12-15H2,1H3/t20-,22+/m1/s1.
What are the key properties of 3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-1-[(4-methoxyphenyl)methoxy]quinazoline-2,4-dione?
3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-1-[(4-methoxyphenyl)methoxy]quinazoline-2,4-dione has a molecular weight of 453.50 g/mol, XLogP of 0.87, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-1-[(4-methoxyphenyl)methoxy]quinazoline-2,4-dione is sourced from PubChem (CID 101334413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).