2-(3-prop-2-enoxypyrrolidin-1-yl)-3H-quinazolin-4-one

C15H17N3O2 — CID 137257515

IUPAC2-(3-prop-2-enoxypyrrolidin-1-yl)-3H-quinazolin-4-one
SMILESC=CCOC1CCN(c2nc3ccccc3c(=O)[nH]2)C1
InChIInChI=1S/C15H17N3O2/c1-2-9-20-11-7-8-18(10-11)15-16-13-6-4-3-5-12(13)14(19)17-15/h2-6,11H,1,7-10H2,(H,16,17,19)
InChIKeyVGDWLNGBJNOHNJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.70
Rot. Bonds4

About 2-(3-prop-2-enoxypyrrolidin-1-yl)-3H-quinazolin-4-one

2-(3-prop-2-enoxypyrrolidin-1-yl)-3H-quinazolin-4-one (PubChem CID 137257515) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(3-prop-2-enoxypyrrolidin-1-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3-prop-2-enoxypyrrolidin-1-yl)-3H-quinazolin-4-one
PubChem CID137257515
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(3-prop-2-enoxypyrrolidin-1-yl)-3H-quinazolin-4-one
SMILESC=CCOC1CCN(c2nc3ccccc3c(=O)[nH]2)C1
InChIInChI=1S/C15H17N3O2/c1-2-9-20-11-7-8-18(10-11)15-16-13-6-4-3-5-12(13)14(19)17-15/h2-6,11H,1,7-10H2,(H,16,17,19)
InChIKeyVGDWLNGBJNOHNJ-UHFFFAOYSA-N
XLogP1.70
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyclohexyloxypiperidin-1-yl)-3H-quinazolin-4-one
CID 137264465
2-[4-(aminomethyl)piperidin-1-yl]-3H-quinazolin-4-one
CID 136668716
2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-3H-quinazolin-4-one
CID 136790933
2-[(3R)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one
CID 136706838
N-(cyclopropylmethyl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-3-carboxamide
CID 137264290
2-(4-oxopiperidin-1-yl)-3H-quinazolin-4-one
CID 136668709
2-(3-methylsulfanylazepan-1-yl)-3H-quinazolin-4-one
CID 137258116
2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one
CID 137269952
tert-butyl N-[[1-(4-oxo-3H-quinazolin-2-yl)piperidin-3-yl]methyl]carbamate
CID 137268454
2-[4-(2-aminoethyl)piperazin-1-yl]-3H-quinazolin-4-one
CID 136923010
2-(5-azaspiro[2.5]octan-5-yl)-3H-quinazolin-4-one
CID 137266356
4-chloro-2-phenyl-5-(3-prop-2-enoxypyrrolidin-1-yl)pyridazin-3-one
CID 133465286

Frequently Asked Questions

What is the IUPAC name of 2-(3-prop-2-enoxypyrrolidin-1-yl)-3H-quinazolin-4-one?
The IUPAC name of 2-(3-prop-2-enoxypyrrolidin-1-yl)-3H-quinazolin-4-one (CID 137257515) is 2-(3-prop-2-enoxypyrrolidin-1-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(3-prop-2-enoxypyrrolidin-1-yl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(3-prop-2-enoxypyrrolidin-1-yl)-3H-quinazolin-4-one is C=CCOC1CCN(c2nc3ccccc3c(=O)[nH]2)C1.
What is the InChIKey of 2-(3-prop-2-enoxypyrrolidin-1-yl)-3H-quinazolin-4-one?
The InChIKey is VGDWLNGBJNOHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-9-20-11-7-8-18(10-11)15-16-13-6-4-3-5-12(13)14(19)17-15/h2-6,11H,1,7-10H2,(H,16,17,19).
What are the key properties of 2-(3-prop-2-enoxypyrrolidin-1-yl)-3H-quinazolin-4-one?
2-(3-prop-2-enoxypyrrolidin-1-yl)-3H-quinazolin-4-one has a molecular weight of 271.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-prop-2-enoxypyrrolidin-1-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 137257515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).