2-methyl-4-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one

C25H23N5O3 — CID 118058594

IUPAC2-methyl-4-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one
SMILESCc1cc2n(Cc3nc(OCC4CCOC4)c4ccccc4n3)c(=O)c3ccccc3n2n1
InChIInChI=1S/C25H23N5O3/c1-16-12-23-29(25(31)19-7-3-5-9-21(19)30(23)28-16)13-22-26-20-8-4-2-6-18(20)24(27-22)33-15-17-10-11-32-14-17/h2-9,12,17H,10-11,13-15H2,1H3
InChIKeyAHXPUMNJFKTUPB-UHFFFAOYSA-N
MW441.49 g/mol
LogP3.36
Rot. Bonds5

About 2-methyl-4-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one

2-methyl-4-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 118058594) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is 2-methyl-4-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2-methyl-4-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one
PubChem CID118058594
Molecular FormulaC25H23N5O3
Molecular Weight441.49 g/mol
Exact Mass441.18
IUPAC Name2-methyl-4-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one
SMILESCc1cc2n(Cc3nc(OCC4CCOC4)c4ccccc4n3)c(=O)c3ccccc3n2n1
InChIInChI=1S/C25H23N5O3/c1-16-12-23-29(25(31)19-7-3-5-9-21(19)30(23)28-16)13-22-26-20-8-4-2-6-18(20)24(27-22)33-15-17-10-11-32-14-17/h2-9,12,17H,10-11,13-15H2,1H3
InChIKeyAHXPUMNJFKTUPB-UHFFFAOYSA-N
XLogP3.36
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-methyl-4-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one 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 2-methyl-4-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2-methyl-4-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one (CID 118058594) is 2-methyl-4-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2-methyl-4-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2-methyl-4-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one is Cc1cc2n(Cc3nc(OCC4CCOC4)c4ccccc4n3)c(=O)c3ccccc3n2n1.
What is the InChIKey of 2-methyl-4-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is AHXPUMNJFKTUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3/c1-16-12-23-29(25(31)19-7-3-5-9-21(19)30(23)28-16)13-22-26-20-8-4-2-6-18(20)24(27-22)33-15-17-10-11-32-14-17/h2-9,12,17H,10-11,13-15H2,1H3.
What are the key properties of 2-methyl-4-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one?
2-methyl-4-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 441.49 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 118058594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).