7-methoxy-2-(4-methoxyphenyl)-5-phenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine

C24H22N2O3 — CID 4564985

IUPAC7-methoxy-2-(4-methoxyphenyl)-5-phenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESCOc1ccc(C2=CC3c4cccc(OC)c4OC(c4ccccc4)N3N2)cc1
InChIInChI=1S/C24H22N2O3/c1-27-18-13-11-16(12-14-18)20-15-21-19-9-6-10-22(28-2)23(19)29-24(26(21)25-20)17-7-4-3-5-8-17/h3-15,21,24-25H,1-2H3
InChIKeyATZPXIPGKUWUOU-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.70
Rot. Bonds4

About 7-methoxy-2-(4-methoxyphenyl)-5-phenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine

7-methoxy-2-(4-methoxyphenyl)-5-phenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 4564985) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 7-methoxy-2-(4-methoxyphenyl)-5-phenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

Compound Name7-methoxy-2-(4-methoxyphenyl)-5-phenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
PubChem CID4564985
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name7-methoxy-2-(4-methoxyphenyl)-5-phenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESCOc1ccc(C2=CC3c4cccc(OC)c4OC(c4ccccc4)N3N2)cc1
InChIInChI=1S/C24H22N2O3/c1-27-18-13-11-16(12-14-18)20-15-21-19-9-6-10-22(28-2)23(19)29-24(26(21)25-20)17-7-4-3-5-8-17/h3-15,21,24-25H,1-2H3
InChIKeyATZPXIPGKUWUOU-UHFFFAOYSA-N
XLogP4.70
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyphenyl)-7-methoxy-5-(3-methoxyphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 4152409
5-(3,4-dimethoxyphenyl)-7-ethoxy-2-(4-fluorophenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 4147372
5-(3-chlorophenyl)-2-(furan-2-yl)-7-methoxy-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 4147479
5-(2,5-dimethoxyphenyl)-7-methoxy-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 4152524
5-(3-fluorophenyl)-7-methoxy-2-(5-methylfuran-2-yl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 4088501
(5S,10bR)-2-(4-chlorophenyl)-5-(3-methoxyphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 2003965
7-ethoxy-2-(3-methoxyphenyl)-5-(4-methylsulfanylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 5191016
2,5-diphenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 53449506
9-methoxy-2-(4-methoxyphenyl)-5-(4-methylsulfanylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 4161244
5-(3,4-difluorophenyl)-7-ethoxy-2-(3-methoxyphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 5191018
(5R,10bR)-7-methoxy-5-(4-methoxyphenyl)-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 42453975
9-bromo-5-(3-fluorophenyl)-2-(furan-2-yl)-7-methoxy-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 4088499

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(4-methoxyphenyl)-5-phenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine?
The IUPAC name of 7-methoxy-2-(4-methoxyphenyl)-5-phenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine (CID 4564985) is 7-methoxy-2-(4-methoxyphenyl)-5-phenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine.
What is the SMILES notation for 7-methoxy-2-(4-methoxyphenyl)-5-phenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine?
The canonical SMILES for 7-methoxy-2-(4-methoxyphenyl)-5-phenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine is COc1ccc(C2=CC3c4cccc(OC)c4OC(c4ccccc4)N3N2)cc1.
What is the InChIKey of 7-methoxy-2-(4-methoxyphenyl)-5-phenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine?
The InChIKey is ATZPXIPGKUWUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-27-18-13-11-16(12-14-18)20-15-21-19-9-6-10-22(28-2)23(19)29-24(26(21)25-20)17-7-4-3-5-8-17/h3-15,21,24-25H,1-2H3.
What are the key properties of 7-methoxy-2-(4-methoxyphenyl)-5-phenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine?
7-methoxy-2-(4-methoxyphenyl)-5-phenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 386.45 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(4-methoxyphenyl)-5-phenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 4564985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).