2-naphthalen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]

C25H24N2O — CID 3282346

IUPAC2-naphthalen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
SMILESc1ccc2c(c1)OC1(CCCCC1)N1N=C(c3ccc4ccccc4c3)CC21
InChIInChI=1S/C25H24N2O/c1-6-14-25(15-7-1)27-23(21-10-4-5-11-24(21)28-25)17-22(26-27)20-13-12-18-8-2-3-9-19(18)16-20/h2-5,8-13,16,23H,1,6-7,14-15,17H2
InChIKeyRGCGDKCMNBABJS-UHFFFAOYSA-N
MW368.48 g/mol
LogP6.04
Rot. Bonds1

About 2-naphthalen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]

2-naphthalen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane] (PubChem CID 3282346) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-naphthalen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane].

Molecular Properties

Compound Name2-naphthalen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
PubChem CID3282346
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name2-naphthalen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
SMILESc1ccc2c(c1)OC1(CCCCC1)N1N=C(c3ccc4ccccc4c3)CC21
InChIInChI=1S/C25H24N2O/c1-6-14-25(15-7-1)27-23(21-10-4-5-11-24(21)28-25)17-22(26-27)20-13-12-18-8-2-3-9-19(18)16-20/h2-5,8-13,16,23H,1,6-7,14-15,17H2
InChIKeyRGCGDKCMNBABJS-UHFFFAOYSA-N
XLogP6.04
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]?
The IUPAC name of 2-naphthalen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane] (CID 3282346) is 2-naphthalen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane].
What is the SMILES notation for 2-naphthalen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]?
The canonical SMILES for 2-naphthalen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane] is c1ccc2c(c1)OC1(CCCCC1)N1N=C(c3ccc4ccccc4c3)CC21.
What is the InChIKey of 2-naphthalen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]?
The InChIKey is RGCGDKCMNBABJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-6-14-25(15-7-1)27-23(21-10-4-5-11-24(21)28-25)17-22(26-27)20-13-12-18-8-2-3-9-19(18)16-20/h2-5,8-13,16,23H,1,6-7,14-15,17H2.
What are the key properties of 2-naphthalen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]?
2-naphthalen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane] has a molecular weight of 368.48 g/mol, XLogP of 6.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane] is sourced from PubChem (CID 3282346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).