3-(2-methoxyethyl)-2-[1-(pyridazin-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one

C20H23N5O2 — CID 126951293

IUPAC3-(2-methoxyethyl)-2-[1-(pyridazin-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
SMILESCOCCn1c(C2CCCN2Cc2cccnn2)nc2ccccc2c1=O
InChIInChI=1S/C20H23N5O2/c1-27-13-12-25-19(22-17-8-3-2-7-16(17)20(25)26)18-9-5-11-24(18)14-15-6-4-10-21-23-15/h2-4,6-8,10,18H,5,9,11-14H2,1H3
InChIKeyFLSTXWZHWRZLDK-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.17
Rot. Bonds6

About 3-(2-methoxyethyl)-2-[1-(pyridazin-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one

3-(2-methoxyethyl)-2-[1-(pyridazin-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one (PubChem CID 126951293) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2-[1-(pyridazin-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2-[1-(pyridazin-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
PubChem CID126951293
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name3-(2-methoxyethyl)-2-[1-(pyridazin-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
SMILESCOCCn1c(C2CCCN2Cc2cccnn2)nc2ccccc2c1=O
InChIInChI=1S/C20H23N5O2/c1-27-13-12-25-19(22-17-8-3-2-7-16(17)20(25)26)18-9-5-11-24(18)14-15-6-4-10-21-23-15/h2-4,6-8,10,18H,5,9,11-14H2,1H3
InChIKeyFLSTXWZHWRZLDK-UHFFFAOYSA-N
XLogP2.17
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-methoxyethyl)-2-[1-(1,3-oxazol-2-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951262
3-(2-hydroxyethyl)-2-[1-(2-methoxyethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950815
3-(2-methoxyethyl)-2-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126951295
3-(2-methoxyethyl)-2-[1-[(1-methyl-2-oxopyrimidin-5-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126951271
3-(2-methoxyethyl)-2-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951333
2-(1-isoquinolin-1-ylpyrrolidin-2-yl)-3-(2-methoxyethyl)quinazolin-4-one
CID 126951219
3-(2-methoxyethyl)-2-[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951223
3-(2-methoxyethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951387
2-[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one
CID 126951348
3-(2-methoxyethyl)-2-[1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951198
2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one
CID 126951186
2-[1-[6-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one
CID 126951238

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2-[1-(pyridazin-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-2-[1-(pyridazin-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one (CID 126951293) is 3-(2-methoxyethyl)-2-[1-(pyridazin-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-2-[1-(pyridazin-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-2-[1-(pyridazin-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one is COCCn1c(C2CCCN2Cc2cccnn2)nc2ccccc2c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-2-[1-(pyridazin-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one?
The InChIKey is FLSTXWZHWRZLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-27-13-12-25-19(22-17-8-3-2-7-16(17)20(25)26)18-9-5-11-24(18)14-15-6-4-10-21-23-15/h2-4,6-8,10,18H,5,9,11-14H2,1H3.
What are the key properties of 3-(2-methoxyethyl)-2-[1-(pyridazin-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one?
3-(2-methoxyethyl)-2-[1-(pyridazin-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one has a molecular weight of 365.44 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-2-[1-(pyridazin-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one is sourced from PubChem (CID 126951293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).