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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Related Compounds

3-ethyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]quinazolin-4-one
CID 92589759
2-(piperidin-1-ylmethyl)-3-prop-2-enylquinazolin-4-one
CID 124927087
2-[2-(azocan-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide
CID 8679806
N-(4-methylphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
CID 4606267
N-cyclohexyl-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
CID 655418
2-(morpholin-4-ylmethyl)-3-(2-oxopropyl)quinazolin-4-one
CID 2487613
N-[(1S,2R)-2-methylcyclohexyl]-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
CID 1166555
2-(azepan-1-ylmethyl)-3-(4-fluorophenyl)quinazolin-4-one
CID 991488
3-methyl-2-(2-piperidin-1-ylethyl)quinazolin-4-one
CID 102371390
2-[2-[(3-methylpiperidin-1-yl)methyl]-4-oxoquinazolin-3-yl]acetonitrile
CID 17445386
methyl 1-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl]piperidine-4-carboxylate
CID 8754555
2-(morpholin-4-ylmethyl)-3-[[(2R)-oxan-2-yl]methyl]quinazolin-4-one
CID 94178973

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).