2,7-dimethyl-5-(2,4,5-trimethoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline

C21H23N3O3 — CID 3158758

IUPAC2,7-dimethyl-5-(2,4,5-trimethoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCOc1cc(OC)c(C2Nc3c(C)cccc3-c3cc(C)nn32)cc1OC
InChIInChI=1S/C21H23N3O3/c1-12-7-6-8-14-16-9-13(2)23-24(16)21(22-20(12)14)15-10-18(26-4)19(27-5)11-17(15)25-3/h6-11,21-22H,1-5H3
InChIKeyGYMXSWLOCSEYEX-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.17
Rot. Bonds4

About 2,7-dimethyl-5-(2,4,5-trimethoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline

2,7-dimethyl-5-(2,4,5-trimethoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline (PubChem CID 3158758) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2,7-dimethyl-5-(2,4,5-trimethoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2,7-dimethyl-5-(2,4,5-trimethoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
PubChem CID3158758
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2,7-dimethyl-5-(2,4,5-trimethoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCOc1cc(OC)c(C2Nc3c(C)cccc3-c3cc(C)nn32)cc1OC
InChIInChI=1S/C21H23N3O3/c1-12-7-6-8-14-16-9-13(2)23-24(16)21(22-20(12)14)15-10-18(26-4)19(27-5)11-17(15)25-3/h6-11,21-22H,1-5H3
InChIKeyGYMXSWLOCSEYEX-UHFFFAOYSA-N
XLogP4.17
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-5-(2,4,5-trimethoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The IUPAC name of 2,7-dimethyl-5-(2,4,5-trimethoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline (CID 3158758) is 2,7-dimethyl-5-(2,4,5-trimethoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 2,7-dimethyl-5-(2,4,5-trimethoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The canonical SMILES for 2,7-dimethyl-5-(2,4,5-trimethoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline is COc1cc(OC)c(C2Nc3c(C)cccc3-c3cc(C)nn32)cc1OC.
What is the InChIKey of 2,7-dimethyl-5-(2,4,5-trimethoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The InChIKey is GYMXSWLOCSEYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-12-7-6-8-14-16-9-13(2)23-24(16)21(22-20(12)14)15-10-18(26-4)19(27-5)11-17(15)25-3/h6-11,21-22H,1-5H3.
What are the key properties of 2,7-dimethyl-5-(2,4,5-trimethoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
2,7-dimethyl-5-(2,4,5-trimethoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline has a molecular weight of 365.43 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-5-(2,4,5-trimethoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 3158758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).