1,3-bis(oxiran-2-ylmethyl)quinazoline-2,4-dione

C14H14N2O4 — CID 15366547

IUPAC1,3-bis(oxiran-2-ylmethyl)quinazoline-2,4-dione
SMILESO=c1c2ccccc2n(CC2CO2)c(=O)n1CC1CO1
InChIInChI=1S/C14H14N2O4/c17-13-11-3-1-2-4-12(11)15(5-9-7-19-9)14(18)16(13)6-10-8-20-10/h1-4,9-10H,5-8H2
InChIKeyPSKOKJIJIOBDMN-UHFFFAOYSA-N
MW274.28 g/mol
LogP-0.04
Rot. Bonds4

About 1,3-bis(oxiran-2-ylmethyl)quinazoline-2,4-dione

1,3-bis(oxiran-2-ylmethyl)quinazoline-2,4-dione (PubChem CID 15366547) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1,3-bis(oxiran-2-ylmethyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name1,3-bis(oxiran-2-ylmethyl)quinazoline-2,4-dione
PubChem CID15366547
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name1,3-bis(oxiran-2-ylmethyl)quinazoline-2,4-dione
SMILESO=c1c2ccccc2n(CC2CO2)c(=O)n1CC1CO1
InChIInChI=1S/C14H14N2O4/c17-13-11-3-1-2-4-12(11)15(5-9-7-19-9)14(18)16(13)6-10-8-20-10/h1-4,9-10H,5-8H2
InChIKeyPSKOKJIJIOBDMN-UHFFFAOYSA-N
XLogP-0.04
TPSA69.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-(oxiran-2-ylmethyl)-3,5-bis[[(2R)-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione
CID 22088527
2-methyl-1-[[(2S)-oxiran-2-yl]methyl]indole-3-carbaldehyde
CID 51674653
3-(cyclopropylmethyl)-1-methylquinazoline-2,4-dione
CID 90714195
2-[2,4-dioxo-3-(oxolan-2-ylmethyl)quinazolin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 110278215
1-[[(2R)-oxiran-2-yl]methyl]-3-phenylquinoxalin-2-one;1-[[(2S)-oxiran-2-yl]methyl]-3-phenylquinoxalin-2-one
CID 139052098
3-(oxiran-2-ylmethyl)quinazolin-4-one
CID 12905622
6-[[(2S)-oxolan-2-yl]methyl]benzo[d][2]benzazepine-5,7-dione
CID 714785
1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 1241199
3-[[(2R)-oxolan-2-yl]methyl]-1-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione
CID 30850007
1-chloro-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
CID 86255042
3-ethyl-1-(2-sulfanylethyl)quinazoline-2,4-dione
CID 22507021
2-(oxiran-2-ylmethyl)-4-phenylphthalazin-1-one
CID 19590659

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(oxiran-2-ylmethyl)quinazoline-2,4-dione?
The IUPAC name of 1,3-bis(oxiran-2-ylmethyl)quinazoline-2,4-dione (CID 15366547) is 1,3-bis(oxiran-2-ylmethyl)quinazoline-2,4-dione.
What is the SMILES notation for 1,3-bis(oxiran-2-ylmethyl)quinazoline-2,4-dione?
The canonical SMILES for 1,3-bis(oxiran-2-ylmethyl)quinazoline-2,4-dione is O=c1c2ccccc2n(CC2CO2)c(=O)n1CC1CO1.
What is the InChIKey of 1,3-bis(oxiran-2-ylmethyl)quinazoline-2,4-dione?
The InChIKey is PSKOKJIJIOBDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-13-11-3-1-2-4-12(11)15(5-9-7-19-9)14(18)16(13)6-10-8-20-10/h1-4,9-10H,5-8H2.
What are the key properties of 1,3-bis(oxiran-2-ylmethyl)quinazoline-2,4-dione?
1,3-bis(oxiran-2-ylmethyl)quinazoline-2,4-dione has a molecular weight of 274.28 g/mol, XLogP of -0.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(oxiran-2-ylmethyl)quinazoline-2,4-dione is sourced from PubChem (CID 15366547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).