2-(3,4,5-trimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one

C19H17N3O4 — CID 135908480

IUPAC2-(3,4,5-trimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESCOc1cc(-c2cc3[nH]c(=O)c4ccccc4n3n2)cc(OC)c1OC
InChIInChI=1S/C19H17N3O4/c1-24-15-8-11(9-16(25-2)18(15)26-3)13-10-17-20-19(23)12-6-4-5-7-14(12)22(17)21-13/h4-10H,1-3H3,(H,20,23)
InChIKeySMPCVIKAYTYWTL-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.87
Rot. Bonds4

About 2-(3,4,5-trimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one

2-(3,4,5-trimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 135908480) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 2-(3,4,5-trimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2-(3,4,5-trimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
PubChem CID135908480
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name2-(3,4,5-trimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESCOc1cc(-c2cc3[nH]c(=O)c4ccccc4n3n2)cc(OC)c1OC
InChIInChI=1S/C19H17N3O4/c1-24-15-8-11(9-16(25-2)18(15)26-3)13-10-17-20-19(23)12-6-4-5-7-14(12)22(17)21-13/h4-10H,1-3H3,(H,20,23)
InChIKeySMPCVIKAYTYWTL-UHFFFAOYSA-N
XLogP2.87
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2-(3,4,5-trimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one (CID 135908480) is 2-(3,4,5-trimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2-(3,4,5-trimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2-(3,4,5-trimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one is COc1cc(-c2cc3[nH]c(=O)c4ccccc4n3n2)cc(OC)c1OC.
What is the InChIKey of 2-(3,4,5-trimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is SMPCVIKAYTYWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-24-15-8-11(9-16(25-2)18(15)26-3)13-10-17-20-19(23)12-6-4-5-7-14(12)22(17)21-13/h4-10H,1-3H3,(H,20,23).
What are the key properties of 2-(3,4,5-trimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
2-(3,4,5-trimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 351.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5-trimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 135908480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).