7-methoxy-2-(3-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]

C23H26N2O3 — CID 3556909

IUPAC7-methoxy-2-(3-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
SMILESCOc1cccc(C2=NN3C(C2)c2cccc(OC)c2OC32CCCCC2)c1
InChIInChI=1S/C23H26N2O3/c1-26-17-9-6-8-16(14-17)19-15-20-18-10-7-11-21(27-2)22(18)28-23(25(20)24-19)12-4-3-5-13-23/h6-11,14,20H,3-5,12-13,15H2,1-2H3
InChIKeyYHNXHSJNSRICNX-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.91
Rot. Bonds3

About 7-methoxy-2-(3-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]

7-methoxy-2-(3-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane] (PubChem CID 3556909) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 7-methoxy-2-(3-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane].

Molecular Properties

Compound Name7-methoxy-2-(3-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
PubChem CID3556909
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name7-methoxy-2-(3-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
SMILESCOc1cccc(C2=NN3C(C2)c2cccc(OC)c2OC32CCCCC2)c1
InChIInChI=1S/C23H26N2O3/c1-26-17-9-6-8-16(14-17)19-15-20-18-10-7-11-21(27-2)22(18)28-23(25(20)24-19)12-4-3-5-13-23/h6-11,14,20H,3-5,12-13,15H2,1-2H3
InChIKeyYHNXHSJNSRICNX-UHFFFAOYSA-N
XLogP4.91
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(3-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]?
The IUPAC name of 7-methoxy-2-(3-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane] (CID 3556909) is 7-methoxy-2-(3-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane].
What is the SMILES notation for 7-methoxy-2-(3-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]?
The canonical SMILES for 7-methoxy-2-(3-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane] is COc1cccc(C2=NN3C(C2)c2cccc(OC)c2OC32CCCCC2)c1.
What is the InChIKey of 7-methoxy-2-(3-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]?
The InChIKey is YHNXHSJNSRICNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-26-17-9-6-8-16(14-17)19-15-20-18-10-7-11-21(27-2)22(18)28-23(25(20)24-19)12-4-3-5-13-23/h6-11,14,20H,3-5,12-13,15H2,1-2H3.
What are the key properties of 7-methoxy-2-(3-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]?
7-methoxy-2-(3-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane] has a molecular weight of 378.47 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(3-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane] is sourced from PubChem (CID 3556909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).