5-(3,4-dimethoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)pyrazolidine-3-carboxamide

C21H23N5O4 — CID 134126389

IUPAC5-(3,4-dimethoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)pyrazolidine-3-carboxamide
SMILESCOc1ccc(C2CC(C(=O)Nc3ccc4ncn(C)c(=O)c4c3)NN2)cc1OC
InChIInChI=1S/C21H23N5O4/c1-26-11-22-15-6-5-13(9-14(15)21(26)28)23-20(27)17-10-16(24-25-17)12-4-7-18(29-2)19(8-12)30-3/h4-9,11,16-17,24-25H,10H2,1-3H3,(H,23,27)
InChIKeyPUEJNPXECOKJEY-UHFFFAOYSA-N
MW409.45 g/mol
LogP1.50
Rot. Bonds5

About 5-(3,4-dimethoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)pyrazolidine-3-carboxamide

5-(3,4-dimethoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)pyrazolidine-3-carboxamide (PubChem CID 134126389) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)pyrazolidine-3-carboxamide
PubChem CID134126389
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC Name5-(3,4-dimethoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)pyrazolidine-3-carboxamide
SMILESCOc1ccc(C2CC(C(=O)Nc3ccc4ncn(C)c(=O)c4c3)NN2)cc1OC
InChIInChI=1S/C21H23N5O4/c1-26-11-22-15-6-5-13(9-14(15)21(26)28)23-20(27)17-10-16(24-25-17)12-4-7-18(29-2)19(8-12)30-3/h4-9,11,16-17,24-25H,10H2,1-3H3,(H,23,27)
InChIKeyPUEJNPXECOKJEY-UHFFFAOYSA-N
XLogP1.50
TPSA106.51 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)pyrazolidine-3-carboxamide?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)pyrazolidine-3-carboxamide (CID 134126389) is 5-(3,4-dimethoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)pyrazolidine-3-carboxamide is COc1ccc(C2CC(C(=O)Nc3ccc4ncn(C)c(=O)c4c3)NN2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)pyrazolidine-3-carboxamide?
The InChIKey is PUEJNPXECOKJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-26-11-22-15-6-5-13(9-14(15)21(26)28)23-20(27)17-10-16(24-25-17)12-4-7-18(29-2)19(8-12)30-3/h4-9,11,16-17,24-25H,10H2,1-3H3,(H,23,27).
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)pyrazolidine-3-carboxamide?
5-(3,4-dimethoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)pyrazolidine-3-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 134126389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).