3-[3-oxo-3-(4-pyridazin-3-yloxypiperidin-1-yl)propyl]quinazolin-4-one

C20H21N5O3 — CID 71799340

IUPAC3-[3-oxo-3-(4-pyridazin-3-yloxypiperidin-1-yl)propyl]quinazolin-4-one
SMILESO=C(CCn1cnc2ccccc2c1=O)N1CCC(Oc2cccnn2)CC1
InChIInChI=1S/C20H21N5O3/c26-19(9-13-25-14-21-17-5-2-1-4-16(17)20(25)27)24-11-7-15(8-12-24)28-18-6-3-10-22-23-18/h1-6,10,14-15H,7-9,11-13H2
InChIKeyJRWZGVHTACOBPJ-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.65
Rot. Bonds5

About 3-[3-oxo-3-(4-pyridazin-3-yloxypiperidin-1-yl)propyl]quinazolin-4-one

3-[3-oxo-3-(4-pyridazin-3-yloxypiperidin-1-yl)propyl]quinazolin-4-one (PubChem CID 71799340) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 3-[3-oxo-3-(4-pyridazin-3-yloxypiperidin-1-yl)propyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[3-oxo-3-(4-pyridazin-3-yloxypiperidin-1-yl)propyl]quinazolin-4-one
PubChem CID71799340
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name3-[3-oxo-3-(4-pyridazin-3-yloxypiperidin-1-yl)propyl]quinazolin-4-one
SMILESO=C(CCn1cnc2ccccc2c1=O)N1CCC(Oc2cccnn2)CC1
InChIInChI=1S/C20H21N5O3/c26-19(9-13-25-14-21-17-5-2-1-4-16(17)20(25)27)24-11-7-15(8-12-24)28-18-6-3-10-22-23-18/h1-6,10,14-15H,7-9,11-13H2
InChIKeyJRWZGVHTACOBPJ-UHFFFAOYSA-N
XLogP1.65
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 90566265
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
3-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 119623819
3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 4900240
3-[3-oxo-3-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]propyl]quinazolin-4-one
CID 100644820
3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride
CID 119402237
3-[4-oxo-4-[(3R)-3-phenoxypyrrolidin-1-yl]butyl]quinazolin-4-one
CID 126426727
3-[3-oxo-3-(1,3-thiazolidin-3-yl)propyl]quinazolin-4-one
CID 122332128
1-[3-oxo-3-(3-pyridazin-3-yloxypyrrolidin-1-yl)propyl]pyrimidine-2,4-dione
CID 91627186
3-[3-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 121152128
3-[3-oxo-3-(2-phenylpyrrolidin-1-yl)propyl]quinazolin-4-one
CID 51319060
3-[3-[(2S)-2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 124698567

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-3-(4-pyridazin-3-yloxypiperidin-1-yl)propyl]quinazolin-4-one?
The IUPAC name of 3-[3-oxo-3-(4-pyridazin-3-yloxypiperidin-1-yl)propyl]quinazolin-4-one (CID 71799340) is 3-[3-oxo-3-(4-pyridazin-3-yloxypiperidin-1-yl)propyl]quinazolin-4-one.
What is the SMILES notation for 3-[3-oxo-3-(4-pyridazin-3-yloxypiperidin-1-yl)propyl]quinazolin-4-one?
The canonical SMILES for 3-[3-oxo-3-(4-pyridazin-3-yloxypiperidin-1-yl)propyl]quinazolin-4-one is O=C(CCn1cnc2ccccc2c1=O)N1CCC(Oc2cccnn2)CC1.
What is the InChIKey of 3-[3-oxo-3-(4-pyridazin-3-yloxypiperidin-1-yl)propyl]quinazolin-4-one?
The InChIKey is JRWZGVHTACOBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c26-19(9-13-25-14-21-17-5-2-1-4-16(17)20(25)27)24-11-7-15(8-12-24)28-18-6-3-10-22-23-18/h1-6,10,14-15H,7-9,11-13H2.
What are the key properties of 3-[3-oxo-3-(4-pyridazin-3-yloxypiperidin-1-yl)propyl]quinazolin-4-one?
3-[3-oxo-3-(4-pyridazin-3-yloxypiperidin-1-yl)propyl]quinazolin-4-one has a molecular weight of 379.42 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-(4-pyridazin-3-yloxypiperidin-1-yl)propyl]quinazolin-4-one is sourced from PubChem (CID 71799340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).