2-(2-pyrrolidin-3-ylethoxymethyl)-3H-quinazolin-4-one

C15H19N3O2 — CID 136767078

IUPAC2-(2-pyrrolidin-3-ylethoxymethyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(COCCC2CCNC2)nc2ccccc12
InChIInChI=1S/C15H19N3O2/c19-15-12-3-1-2-4-13(12)17-14(18-15)10-20-8-6-11-5-7-16-9-11/h1-4,11,16H,5-10H2,(H,17,18,19)
InChIKeyFAFZBEXCRDEMAU-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.44
Rot. Bonds5

About 2-(2-pyrrolidin-3-ylethoxymethyl)-3H-quinazolin-4-one

2-(2-pyrrolidin-3-ylethoxymethyl)-3H-quinazolin-4-one (PubChem CID 136767078) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(2-pyrrolidin-3-ylethoxymethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-pyrrolidin-3-ylethoxymethyl)-3H-quinazolin-4-one
PubChem CID136767078
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(2-pyrrolidin-3-ylethoxymethyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(COCCC2CCNC2)nc2ccccc12
InChIInChI=1S/C15H19N3O2/c19-15-12-3-1-2-4-13(12)17-14(18-15)10-20-8-6-11-5-7-16-9-11/h1-4,11,16H,5-10H2,(H,17,18,19)
InChIKeyFAFZBEXCRDEMAU-UHFFFAOYSA-N
XLogP1.44
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-oxo-3H-quinazolin-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 137119936
2-(2-pyrrolidin-3-ylethoxymethyl)-1,3-benzothiazole
CID 114795968
2-[(6-methylmorpholin-2-yl)methoxymethyl]-3H-quinazolin-4-one
CID 136767082
2-[(2-amino-2-methylpropoxy)methyl]-3H-quinazolin-4-one
CID 136767041
2-[[ethyl(piperidin-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one;hydrochloride
CID 137154638
(3S)-3-(2-phenylmethoxyethyl)piperidine
CID 26192382
1-phenyl-3-(2-pyrrolidin-3-ylethoxymethyl)pyrazole
CID 114796055
3-(2-piperidin-3-ylethoxy)-2H-isoquinolin-1-one
CID 62357366
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 136706433
2-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 137078251
2-(aminomethyl)-3H-quinazolin-4-one;dihydrochloride
CID 137032189
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 135990311

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-3-ylethoxymethyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(2-pyrrolidin-3-ylethoxymethyl)-3H-quinazolin-4-one (CID 136767078) is 2-(2-pyrrolidin-3-ylethoxymethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2-pyrrolidin-3-ylethoxymethyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(2-pyrrolidin-3-ylethoxymethyl)-3H-quinazolin-4-one is O=c1[nH]c(COCCC2CCNC2)nc2ccccc12.
What is the InChIKey of 2-(2-pyrrolidin-3-ylethoxymethyl)-3H-quinazolin-4-one?
The InChIKey is FAFZBEXCRDEMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-15-12-3-1-2-4-13(12)17-14(18-15)10-20-8-6-11-5-7-16-9-11/h1-4,11,16H,5-10H2,(H,17,18,19).
What are the key properties of 2-(2-pyrrolidin-3-ylethoxymethyl)-3H-quinazolin-4-one?
2-(2-pyrrolidin-3-ylethoxymethyl)-3H-quinazolin-4-one has a molecular weight of 273.34 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-3-ylethoxymethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 136767078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).