2,7,9-trimethyl-5-(2,4,5-trimethoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline

C22H25N3O3 — CID 3158725

IUPAC2,7,9-trimethyl-5-(2,4,5-trimethoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCOc1cc(OC)c(C2Nc3c(C)cc(C)cc3-c3cc(C)nn32)cc1OC
InChIInChI=1S/C22H25N3O3/c1-12-7-13(2)21-15(8-12)17-9-14(3)24-25(17)22(23-21)16-10-19(27-5)20(28-6)11-18(16)26-4/h7-11,22-23H,1-6H3
InChIKeyNKUIRPPKUVSZMT-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.47
Rot. Bonds4

About 2,7,9-trimethyl-5-(2,4,5-trimethoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline

2,7,9-trimethyl-5-(2,4,5-trimethoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline (PubChem CID 3158725) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2,7,9-trimethyl-5-(2,4,5-trimethoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2,7,9-trimethyl-5-(2,4,5-trimethoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
PubChem CID3158725
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2,7,9-trimethyl-5-(2,4,5-trimethoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCOc1cc(OC)c(C2Nc3c(C)cc(C)cc3-c3cc(C)nn32)cc1OC
InChIInChI=1S/C22H25N3O3/c1-12-7-13(2)21-15(8-12)17-9-14(3)24-25(17)22(23-21)16-10-19(27-5)20(28-6)11-18(16)26-4/h7-11,22-23H,1-6H3
InChIKeyNKUIRPPKUVSZMT-UHFFFAOYSA-N
XLogP4.47
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,7,9-trimethyl-5-(2,4,5-trimethoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The IUPAC name of 2,7,9-trimethyl-5-(2,4,5-trimethoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline (CID 3158725) is 2,7,9-trimethyl-5-(2,4,5-trimethoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 2,7,9-trimethyl-5-(2,4,5-trimethoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The canonical SMILES for 2,7,9-trimethyl-5-(2,4,5-trimethoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline is COc1cc(OC)c(C2Nc3c(C)cc(C)cc3-c3cc(C)nn32)cc1OC.
What is the InChIKey of 2,7,9-trimethyl-5-(2,4,5-trimethoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The InChIKey is NKUIRPPKUVSZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-12-7-13(2)21-15(8-12)17-9-14(3)24-25(17)22(23-21)16-10-19(27-5)20(28-6)11-18(16)26-4/h7-11,22-23H,1-6H3.
What are the key properties of 2,7,9-trimethyl-5-(2,4,5-trimethoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
2,7,9-trimethyl-5-(2,4,5-trimethoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline has a molecular weight of 379.46 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,9-trimethyl-5-(2,4,5-trimethoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 3158725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).