2-(1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one

C16H17N5O2 — CID 135910442

IUPAC2-(1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESO=C(c1cc2[nH]c(=O)c3ccccc3n2n1)N1CCCNCC1
InChIInChI=1S/C16H17N5O2/c22-15-11-4-1-2-5-13(11)21-14(18-15)10-12(19-21)16(23)20-8-3-6-17-7-9-20/h1-2,4-5,10,17H,3,6-9H2,(H,18,22)
InChIKeyFHZFSCLZULVSOX-UHFFFAOYSA-N
MW311.34 g/mol
LogP0.61
Rot. Bonds1

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

2-(1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 135910442) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-(1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2-(1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
PubChem CID135910442
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC Name2-(1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESO=C(c1cc2[nH]c(=O)c3ccccc3n2n1)N1CCCNCC1
InChIInChI=1S/C16H17N5O2/c22-15-11-4-1-2-5-13(11)21-14(18-15)10-12(19-21)16(23)20-8-3-6-17-7-9-20/h1-2,4-5,10,17H,3,6-9H2,(H,18,22)
InChIKeyFHZFSCLZULVSOX-UHFFFAOYSA-N
XLogP0.61
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4H,5H-pyrazolo[1,5-a]quinazolin-5-one
CID 135512367
3-[[1-(Cyclopropylmethyl)-5-Ethanoyl-6,7-Dihydro-4~{h}-Pyrazolo[4,3-C]pyridin-3-Yl]amino]-~{n}-Propan-2-Yl-Benzamide
CID 121365488
3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-methylbenzamide
CID 121373033
3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N-dimethylbenzamide
CID 121373043
2-phenylpyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135939584
3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-ethylbenzamide
CID 134135176
3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-propylbenzamide
CID 134139020
2-methyl-5-oxo-1H-pyrazolo[1,5-a]quinazoline-3-carbaldehyde
CID 135464724
2-p-tolylpyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135907000
2-(4-ethylphenyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135907001
2-(4-methyl-1,4-diazepane-1-carbonyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135908481
2-(3-(morpholinomethyl)piperidine-1-carbonyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135910401

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2-(1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one (CID 135910442) is 2-(1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2-(1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2-(1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one is O=C(c1cc2[nH]c(=O)c3ccccc3n2n1)N1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is FHZFSCLZULVSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c22-15-11-4-1-2-5-13(11)21-14(18-15)10-12(19-21)16(23)20-8-3-6-17-7-9-20/h1-2,4-5,10,17H,3,6-9H2,(H,18,22).
What are the key properties of 2-(1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
2-(1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 311.34 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 135910442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).