3-[2-oxo-2-(3-pyrazol-1-yl-8-azabicyclo[3.2.1]octan-8-yl)ethyl]quinazolin-4-one

C20H21N5O2 — CID 134161536

IUPAC3-[2-oxo-2-(3-pyrazol-1-yl-8-azabicyclo[3.2.1]octan-8-yl)ethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2ccccc2c1=O)N1C2CCC1CC(n1cccn1)C2
InChIInChI=1S/C20H21N5O2/c26-19(12-23-13-21-18-5-2-1-4-17(18)20(23)27)25-14-6-7-15(25)11-16(10-14)24-9-3-8-22-24/h1-5,8-9,13-16H,6-7,10-12H2
InChIKeyBHQHWQIKLQIZCD-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.99
Rot. Bonds3

About 3-[2-oxo-2-(3-pyrazol-1-yl-8-azabicyclo[3.2.1]octan-8-yl)ethyl]quinazolin-4-one

3-[2-oxo-2-(3-pyrazol-1-yl-8-azabicyclo[3.2.1]octan-8-yl)ethyl]quinazolin-4-one (PubChem CID 134161536) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-[2-oxo-2-(3-pyrazol-1-yl-8-azabicyclo[3.2.1]octan-8-yl)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-oxo-2-(3-pyrazol-1-yl-8-azabicyclo[3.2.1]octan-8-yl)ethyl]quinazolin-4-one
PubChem CID134161536
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name3-[2-oxo-2-(3-pyrazol-1-yl-8-azabicyclo[3.2.1]octan-8-yl)ethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2ccccc2c1=O)N1C2CCC1CC(n1cccn1)C2
InChIInChI=1S/C20H21N5O2/c26-19(12-23-13-21-18-5-2-1-4-17(18)20(23)27)25-14-6-7-15(25)11-16(10-14)24-9-3-8-22-24/h1-5,8-9,13-16H,6-7,10-12H2
InChIKeyBHQHWQIKLQIZCD-UHFFFAOYSA-N
XLogP1.99
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-oxo-2-(3-pyrazol-1-yl-8-azabicyclo[3.2.1]octan-8-yl)ethyl]quinazolin-4-one with MolForge

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Related Compounds

3-[2-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]quinazolin-4-one
CID 16674918
3-[3-oxo-3-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]quinazolin-4-one
CID 126850611
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
3-[2-oxo-2-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]quinazolin-4-one
CID 122272666
3-[3-[(1R,5S)-3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl]-3-oxopropyl]quinazolin-4-one
CID 129373882
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7874856
ethyl (1S,2S,4R)-2-ethyl-7-[2-(4-oxoquinazolin-3-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 164691384
3-[2-(4-cyclopropyl-2-methylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one
CID 157013903
5,6-dimethyl-3-[2-oxo-2-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyrimidin-4-one
CID 126852253
3-[1-[2-(4-oxoquinazolin-3-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159971
3-[3-oxo-3-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propyl]quinazolin-4-one
CID 121186033
3-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 134012425

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(3-pyrazol-1-yl-8-azabicyclo[3.2.1]octan-8-yl)ethyl]quinazolin-4-one?
The IUPAC name of 3-[2-oxo-2-(3-pyrazol-1-yl-8-azabicyclo[3.2.1]octan-8-yl)ethyl]quinazolin-4-one (CID 134161536) is 3-[2-oxo-2-(3-pyrazol-1-yl-8-azabicyclo[3.2.1]octan-8-yl)ethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-oxo-2-(3-pyrazol-1-yl-8-azabicyclo[3.2.1]octan-8-yl)ethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-oxo-2-(3-pyrazol-1-yl-8-azabicyclo[3.2.1]octan-8-yl)ethyl]quinazolin-4-one is O=C(Cn1cnc2ccccc2c1=O)N1C2CCC1CC(n1cccn1)C2.
What is the InChIKey of 3-[2-oxo-2-(3-pyrazol-1-yl-8-azabicyclo[3.2.1]octan-8-yl)ethyl]quinazolin-4-one?
The InChIKey is BHQHWQIKLQIZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-19(12-23-13-21-18-5-2-1-4-17(18)20(23)27)25-14-6-7-15(25)11-16(10-14)24-9-3-8-22-24/h1-5,8-9,13-16H,6-7,10-12H2.
What are the key properties of 3-[2-oxo-2-(3-pyrazol-1-yl-8-azabicyclo[3.2.1]octan-8-yl)ethyl]quinazolin-4-one?
3-[2-oxo-2-(3-pyrazol-1-yl-8-azabicyclo[3.2.1]octan-8-yl)ethyl]quinazolin-4-one has a molecular weight of 363.42 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(3-pyrazol-1-yl-8-azabicyclo[3.2.1]octan-8-yl)ethyl]quinazolin-4-one is sourced from PubChem (CID 134161536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).