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

C24H21N5O3 — CID 118058580

IUPAC2-methyl-4-[[4-(oxolan-3-yloxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one
SMILESCc1cc2n(Cc3nc(OC4CCOC4)c4ccccc4n3)c(=O)c3ccccc3n2n1
InChIInChI=1S/C24H21N5O3/c1-15-12-22-28(24(30)18-7-3-5-9-20(18)29(22)27-15)13-21-25-19-8-4-2-6-17(19)23(26-21)32-16-10-11-31-14-16/h2-9,12,16H,10-11,13-14H2,1H3
InChIKeyXFCHITWMVZZPJZ-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.12
Rot. Bonds4

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

2-methyl-4-[[4-(oxolan-3-yloxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 118058580) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is 2-methyl-4-[[4-(oxolan-3-yloxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2-methyl-4-[[4-(oxolan-3-yloxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one
PubChem CID118058580
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC Name2-methyl-4-[[4-(oxolan-3-yloxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one
SMILESCc1cc2n(Cc3nc(OC4CCOC4)c4ccccc4n3)c(=O)c3ccccc3n2n1
InChIInChI=1S/C24H21N5O3/c1-15-12-22-28(24(30)18-7-3-5-9-20(18)29(22)27-15)13-21-25-19-8-4-2-6-17(19)23(26-21)32-16-10-11-31-14-16/h2-9,12,16H,10-11,13-14H2,1H3
InChIKeyXFCHITWMVZZPJZ-UHFFFAOYSA-N
XLogP3.12
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[4-(oxolan-3-yloxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2-methyl-4-[[4-(oxolan-3-yloxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one (CID 118058580) is 2-methyl-4-[[4-(oxolan-3-yloxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2-methyl-4-[[4-(oxolan-3-yloxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2-methyl-4-[[4-(oxolan-3-yloxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one is Cc1cc2n(Cc3nc(OC4CCOC4)c4ccccc4n3)c(=O)c3ccccc3n2n1.
What is the InChIKey of 2-methyl-4-[[4-(oxolan-3-yloxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is XFCHITWMVZZPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3/c1-15-12-22-28(24(30)18-7-3-5-9-20(18)29(22)27-15)13-21-25-19-8-4-2-6-17(19)23(26-21)32-16-10-11-31-14-16/h2-9,12,16H,10-11,13-14H2,1H3.
What are the key properties of 2-methyl-4-[[4-(oxolan-3-yloxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one?
2-methyl-4-[[4-(oxolan-3-yloxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 427.46 g/mol, XLogP of 3.12, 4 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-yloxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 118058580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).