2,6-dimethoxy-4-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol

C21H23N3O3 — CID 3158724

IUPAC2,6-dimethoxy-4-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol
SMILESCOc1cc(C2Nc3c(C)cc(C)cc3-c3cc(C)nn32)cc(OC)c1O
InChIInChI=1S/C21H23N3O3/c1-11-6-12(2)19-15(7-11)16-8-13(3)23-24(16)21(22-19)14-9-17(26-4)20(25)18(10-14)27-5/h6-10,21-22,25H,1-5H3
InChIKeyOIRKLMWTSZJPNX-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.17
Rot. Bonds3

About 2,6-dimethoxy-4-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol

2,6-dimethoxy-4-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol (PubChem CID 3158724) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2,6-dimethoxy-4-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol
PubChem CID3158724
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2,6-dimethoxy-4-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol
SMILESCOc1cc(C2Nc3c(C)cc(C)cc3-c3cc(C)nn32)cc(OC)c1O
InChIInChI=1S/C21H23N3O3/c1-11-6-12(2)19-15(7-11)16-8-13(3)23-24(16)21(22-19)14-9-17(26-4)20(25)18(10-14)27-5/h6-10,21-22,25H,1-5H3
InChIKeyOIRKLMWTSZJPNX-UHFFFAOYSA-N
XLogP4.17
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol?
The IUPAC name of 2,6-dimethoxy-4-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol (CID 3158724) is 2,6-dimethoxy-4-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol.
What is the SMILES notation for 2,6-dimethoxy-4-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol?
The canonical SMILES for 2,6-dimethoxy-4-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol is COc1cc(C2Nc3c(C)cc(C)cc3-c3cc(C)nn32)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol?
The InChIKey is OIRKLMWTSZJPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-11-6-12(2)19-15(7-11)16-8-13(3)23-24(16)21(22-19)14-9-17(26-4)20(25)18(10-14)27-5/h6-10,21-22,25H,1-5H3.
What are the key properties of 2,6-dimethoxy-4-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol?
2,6-dimethoxy-4-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol has a molecular weight of 365.43 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol is sourced from PubChem (CID 3158724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).