3-(cyclopropylmethyl)-7-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]quinazolin-4-one

C22H26N6O2 — CID 126897686

IUPAC3-(cyclopropylmethyl)-7-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]quinazolin-4-one
SMILESCc1cc(C(=O)N2CCN(c3ccc4c(=O)n(CC5CC5)cnc4c3)CC2)nn1C
InChIInChI=1S/C22H26N6O2/c1-15-11-20(24-25(15)2)22(30)27-9-7-26(8-10-27)17-5-6-18-19(12-17)23-14-28(21(18)29)13-16-3-4-16/h5-6,11-12,14,16H,3-4,7-10,13H2,1-2H3
InChIKeyIJWFQLOMZICUBS-UHFFFAOYSA-N
MW406.49 g/mol
LogP1.81
Rot. Bonds4

About 3-(cyclopropylmethyl)-7-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]quinazolin-4-one

3-(cyclopropylmethyl)-7-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]quinazolin-4-one (PubChem CID 126897686) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-7-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-7-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]quinazolin-4-one
PubChem CID126897686
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name3-(cyclopropylmethyl)-7-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]quinazolin-4-one
SMILESCc1cc(C(=O)N2CCN(c3ccc4c(=O)n(CC5CC5)cnc4c3)CC2)nn1C
InChIInChI=1S/C22H26N6O2/c1-15-11-20(24-25(15)2)22(30)27-9-7-26(8-10-27)17-5-6-18-19(12-17)23-14-28(21(18)29)13-16-3-4-16/h5-6,11-12,14,16H,3-4,7-10,13H2,1-2H3
InChIKeyIJWFQLOMZICUBS-UHFFFAOYSA-N
XLogP1.81
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-7-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]quinazolin-4-one?
The IUPAC name of 3-(cyclopropylmethyl)-7-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]quinazolin-4-one (CID 126897686) is 3-(cyclopropylmethyl)-7-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]quinazolin-4-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-7-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]quinazolin-4-one?
The canonical SMILES for 3-(cyclopropylmethyl)-7-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]quinazolin-4-one is Cc1cc(C(=O)N2CCN(c3ccc4c(=O)n(CC5CC5)cnc4c3)CC2)nn1C.
What is the InChIKey of 3-(cyclopropylmethyl)-7-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]quinazolin-4-one?
The InChIKey is IJWFQLOMZICUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-15-11-20(24-25(15)2)22(30)27-9-7-26(8-10-27)17-5-6-18-19(12-17)23-14-28(21(18)29)13-16-3-4-16/h5-6,11-12,14,16H,3-4,7-10,13H2,1-2H3.
What are the key properties of 3-(cyclopropylmethyl)-7-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]quinazolin-4-one?
3-(cyclopropylmethyl)-7-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]quinazolin-4-one has a molecular weight of 406.49 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-7-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]quinazolin-4-one is sourced from PubChem (CID 126897686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).