5-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpyrazolo[1,5-a]quinazoline

C20H17N3O — CID 8852840

IUPAC5-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpyrazolo[1,5-a]quinazoline
SMILESCc1cc2nc(Oc3ccc4c(c3)CCC4)c3ccccc3n2n1
InChIInChI=1S/C20H17N3O/c1-13-11-19-21-20(17-7-2-3-8-18(17)23(19)22-13)24-16-10-9-14-5-4-6-15(14)12-16/h2-3,7-12H,4-6H2,1H3
InChIKeyLFYBKHSFIPJASL-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.47
Rot. Bonds2

About 5-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpyrazolo[1,5-a]quinazoline

5-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpyrazolo[1,5-a]quinazoline (PubChem CID 8852840) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpyrazolo[1,5-a]quinazoline.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpyrazolo[1,5-a]quinazoline
PubChem CID8852840
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name5-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpyrazolo[1,5-a]quinazoline
SMILESCc1cc2nc(Oc3ccc4c(c3)CCC4)c3ccccc3n2n1
InChIInChI=1S/C20H17N3O/c1-13-11-19-21-20(17-7-2-3-8-18(17)23(19)22-13)24-16-10-9-14-5-4-6-15(14)12-16/h2-3,7-12H,4-6H2,1H3
InChIKeyLFYBKHSFIPJASL-UHFFFAOYSA-N
XLogP4.47
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpyrazolo[1,5-a]quinazoline?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpyrazolo[1,5-a]quinazoline (CID 8852840) is 5-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpyrazolo[1,5-a]quinazoline.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpyrazolo[1,5-a]quinazoline?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpyrazolo[1,5-a]quinazoline is Cc1cc2nc(Oc3ccc4c(c3)CCC4)c3ccccc3n2n1.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpyrazolo[1,5-a]quinazoline?
The InChIKey is LFYBKHSFIPJASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-13-11-19-21-20(17-7-2-3-8-18(17)23(19)22-13)24-16-10-9-14-5-4-6-15(14)12-16/h2-3,7-12H,4-6H2,1H3.
What are the key properties of 5-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpyrazolo[1,5-a]quinazoline?
5-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpyrazolo[1,5-a]quinazoline has a molecular weight of 315.38 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpyrazolo[1,5-a]quinazoline is sourced from PubChem (CID 8852840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).