5-(2,4-dimethoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline

C19H19N3O2 — CID 3158644

IUPAC5-(2,4-dimethoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCOc1ccc(C2Nc3ccccc3-c3cc(C)nn32)c(OC)c1
InChIInChI=1S/C19H19N3O2/c1-12-10-17-14-6-4-5-7-16(14)20-19(22(17)21-12)15-9-8-13(23-2)11-18(15)24-3/h4-11,19-20H,1-3H3
InChIKeyZCJVPZOCWMEFCK-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.85
Rot. Bonds3

About 5-(2,4-dimethoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline

5-(2,4-dimethoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline (PubChem CID 3158644) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
PubChem CID3158644
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name5-(2,4-dimethoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCOc1ccc(C2Nc3ccccc3-c3cc(C)nn32)c(OC)c1
InChIInChI=1S/C19H19N3O2/c1-12-10-17-14-6-4-5-7-16(14)20-19(22(17)21-12)15-9-8-13(23-2)11-18(15)24-3/h4-11,19-20H,1-3H3
InChIKeyZCJVPZOCWMEFCK-UHFFFAOYSA-N
XLogP3.85
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The IUPAC name of 5-(2,4-dimethoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline (CID 3158644) is 5-(2,4-dimethoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline is COc1ccc(C2Nc3ccccc3-c3cc(C)nn32)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The InChIKey is ZCJVPZOCWMEFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12-10-17-14-6-4-5-7-16(14)20-19(22(17)21-12)15-9-8-13(23-2)11-18(15)24-3/h4-11,19-20H,1-3H3.
What are the key properties of 5-(2,4-dimethoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
5-(2,4-dimethoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline has a molecular weight of 321.38 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 3158644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).