2-methyl-5-(naphthalen-2-ylmethoxy)pyrazolo[1,5-a]quinazoline

C22H17N3O — CID 172815886

IUPAC2-methyl-5-(naphthalen-2-ylmethoxy)pyrazolo[1,5-a]quinazoline
SMILESCc1cc2nc(OCc3ccc4ccccc4c3)c3ccccc3n2n1
InChIInChI=1S/C22H17N3O/c1-15-12-21-23-22(19-8-4-5-9-20(19)25(21)24-15)26-14-16-10-11-17-6-2-3-7-18(17)13-16/h2-13H,14H2,1H3
InChIKeySUKPCWFVRUKHFV-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.92
Rot. Bonds3

About 2-methyl-5-(naphthalen-2-ylmethoxy)pyrazolo[1,5-a]quinazoline

2-methyl-5-(naphthalen-2-ylmethoxy)pyrazolo[1,5-a]quinazoline (PubChem CID 172815886) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-methyl-5-(naphthalen-2-ylmethoxy)pyrazolo[1,5-a]quinazoline.

Molecular Properties

Compound Name2-methyl-5-(naphthalen-2-ylmethoxy)pyrazolo[1,5-a]quinazoline
PubChem CID172815886
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name2-methyl-5-(naphthalen-2-ylmethoxy)pyrazolo[1,5-a]quinazoline
SMILESCc1cc2nc(OCc3ccc4ccccc4c3)c3ccccc3n2n1
InChIInChI=1S/C22H17N3O/c1-15-12-21-23-22(19-8-4-5-9-20(19)25(21)24-15)26-14-16-10-11-17-6-2-3-7-18(17)13-16/h2-13H,14H2,1H3
InChIKeySUKPCWFVRUKHFV-UHFFFAOYSA-N
XLogP4.92
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(naphthalen-2-ylmethoxy)pyrazolo[1,5-a]quinazoline?
The IUPAC name of 2-methyl-5-(naphthalen-2-ylmethoxy)pyrazolo[1,5-a]quinazoline (CID 172815886) is 2-methyl-5-(naphthalen-2-ylmethoxy)pyrazolo[1,5-a]quinazoline.
What is the SMILES notation for 2-methyl-5-(naphthalen-2-ylmethoxy)pyrazolo[1,5-a]quinazoline?
The canonical SMILES for 2-methyl-5-(naphthalen-2-ylmethoxy)pyrazolo[1,5-a]quinazoline is Cc1cc2nc(OCc3ccc4ccccc4c3)c3ccccc3n2n1.
What is the InChIKey of 2-methyl-5-(naphthalen-2-ylmethoxy)pyrazolo[1,5-a]quinazoline?
The InChIKey is SUKPCWFVRUKHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c1-15-12-21-23-22(19-8-4-5-9-20(19)25(21)24-15)26-14-16-10-11-17-6-2-3-7-18(17)13-16/h2-13H,14H2,1H3.
What are the key properties of 2-methyl-5-(naphthalen-2-ylmethoxy)pyrazolo[1,5-a]quinazoline?
2-methyl-5-(naphthalen-2-ylmethoxy)pyrazolo[1,5-a]quinazoline has a molecular weight of 339.40 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(naphthalen-2-ylmethoxy)pyrazolo[1,5-a]quinazoline is sourced from PubChem (CID 172815886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).