3-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one

C17H19N5O2 — CID 135965878

IUPAC3-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESCN1CCCN(C(=O)c2cnn3c2[nH]c(=O)c2ccccc23)CC1
InChIInChI=1S/C17H19N5O2/c1-20-7-4-8-21(10-9-20)17(24)13-11-18-22-14-6-3-2-5-12(14)16(23)19-15(13)22/h2-3,5-6,11H,4,7-10H2,1H3,(H,19,23)
InChIKeyJNEAPOGYRXEHLQ-UHFFFAOYSA-N
MW325.37 g/mol
LogP0.95
Rot. Bonds1

About 3-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one

3-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 135965878) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name3-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
PubChem CID135965878
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name3-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESCN1CCCN(C(=O)c2cnn3c2[nH]c(=O)c2ccccc23)CC1
InChIInChI=1S/C17H19N5O2/c1-20-7-4-8-21(10-9-20)17(24)13-11-18-22-14-6-3-2-5-12(14)16(23)19-15(13)22/h2-3,5-6,11H,4,7-10H2,1H3,(H,19,23)
InChIKeyJNEAPOGYRXEHLQ-UHFFFAOYSA-N
XLogP0.95
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 3-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one (CID 135965878) is 3-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 3-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 3-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one is CN1CCCN(C(=O)c2cnn3c2[nH]c(=O)c2ccccc23)CC1.
What is the InChIKey of 3-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is JNEAPOGYRXEHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-20-7-4-8-21(10-9-20)17(24)13-11-18-22-14-6-3-2-5-12(14)16(23)19-15(13)22/h2-3,5-6,11H,4,7-10H2,1H3,(H,19,23).
What are the key properties of 3-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
3-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 325.37 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 135965878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).