3-ethyl-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one

C15H19N3O — CID 92589760

IUPAC3-ethyl-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one
SMILESCCn1c(CN2CCCC2)nc2ccccc2c1=O
InChIInChI=1S/C15H19N3O/c1-2-18-14(11-17-9-5-6-10-17)16-13-8-4-3-7-12(13)15(18)19/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKeyYQBGJOFPVKSWNF-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.01
Rot. Bonds3

About 3-ethyl-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one

3-ethyl-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one (PubChem CID 92589760) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-ethyl-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one
PubChem CID92589760
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-ethyl-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one
SMILESCCn1c(CN2CCCC2)nc2ccccc2c1=O
InChIInChI=1S/C15H19N3O/c1-2-18-14(11-17-9-5-6-10-17)16-13-8-4-3-7-12(13)15(18)19/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKeyYQBGJOFPVKSWNF-UHFFFAOYSA-N
XLogP2.01
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one?
The IUPAC name of 3-ethyl-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one (CID 92589760) is 3-ethyl-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one?
The canonical SMILES for 3-ethyl-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one is CCn1c(CN2CCCC2)nc2ccccc2c1=O.
What is the InChIKey of 3-ethyl-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one?
The InChIKey is YQBGJOFPVKSWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-18-14(11-17-9-5-6-10-17)16-13-8-4-3-7-12(13)15(18)19/h3-4,7-8H,2,5-6,9-11H2,1H3.
What are the key properties of 3-ethyl-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one?
3-ethyl-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one has a molecular weight of 257.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 92589760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).