1-[5-(hydroxymethyl)oxolan-2-yl]-7H-imidazo[4,5-g]quinazolin-8-one

C14H14N4O3 — CID 142256542

IUPAC1-[5-(hydroxymethyl)oxolan-2-yl]-7H-imidazo[4,5-g]quinazolin-8-one
SMILESO=c1[nH]cnc2cc3ncn(C4CCC(CO)O4)c3cc12
InChIInChI=1S/C14H14N4O3/c19-5-8-1-2-13(21-8)18-7-17-11-4-10-9(3-12(11)18)14(20)16-6-15-10/h3-4,6-8,13,19H,1-2,5H2,(H,15,16,20)
InChIKeyYOFFHJAAWSJCFG-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.94
Rot. Bonds2

About 1-[5-(hydroxymethyl)oxolan-2-yl]-7H-imidazo[4,5-g]quinazolin-8-one

1-[5-(hydroxymethyl)oxolan-2-yl]-7H-imidazo[4,5-g]quinazolin-8-one (PubChem CID 142256542) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 1-[5-(hydroxymethyl)oxolan-2-yl]-7H-imidazo[4,5-g]quinazolin-8-one.

Molecular Properties

Compound Name1-[5-(hydroxymethyl)oxolan-2-yl]-7H-imidazo[4,5-g]quinazolin-8-one
PubChem CID142256542
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name1-[5-(hydroxymethyl)oxolan-2-yl]-7H-imidazo[4,5-g]quinazolin-8-one
SMILESO=c1[nH]cnc2cc3ncn(C4CCC(CO)O4)c3cc12
InChIInChI=1S/C14H14N4O3/c19-5-8-1-2-13(21-8)18-7-17-11-4-10-9(3-12(11)18)14(20)16-6-15-10/h3-4,6-8,13,19H,1-2,5H2,(H,15,16,20)
InChIKeyYOFFHJAAWSJCFG-UHFFFAOYSA-N
XLogP0.94
TPSA93.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

9-[(2S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 137132957
3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6H-imidazo[4,5-d]pyridazin-7-one
CID 10037092
5-fluoro-7-[5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 137299823
9-[5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione
CID 14654356
1-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]benzimidazole-4,6-diol
CID 54267379
(2R)-2-amino-4-(hydroxyamino)-4-oxobutanoic acid;9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135483722
[5-(4-aminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol
CID 14630171
[(2S,5R)-5-(4-methylimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol
CID 67781518
8-amino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 136663246
[(2S,5S)-5-(4,6-diaminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol
CID 54315484
9-[5-(aminomethyl)oxolan-2-yl]-1H-purin-6-one
CID 146312165
9-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 136592210

Frequently Asked Questions

What is the IUPAC name of 1-[5-(hydroxymethyl)oxolan-2-yl]-7H-imidazo[4,5-g]quinazolin-8-one?
The IUPAC name of 1-[5-(hydroxymethyl)oxolan-2-yl]-7H-imidazo[4,5-g]quinazolin-8-one (CID 142256542) is 1-[5-(hydroxymethyl)oxolan-2-yl]-7H-imidazo[4,5-g]quinazolin-8-one.
What is the SMILES notation for 1-[5-(hydroxymethyl)oxolan-2-yl]-7H-imidazo[4,5-g]quinazolin-8-one?
The canonical SMILES for 1-[5-(hydroxymethyl)oxolan-2-yl]-7H-imidazo[4,5-g]quinazolin-8-one is O=c1[nH]cnc2cc3ncn(C4CCC(CO)O4)c3cc12.
What is the InChIKey of 1-[5-(hydroxymethyl)oxolan-2-yl]-7H-imidazo[4,5-g]quinazolin-8-one?
The InChIKey is YOFFHJAAWSJCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c19-5-8-1-2-13(21-8)18-7-17-11-4-10-9(3-12(11)18)14(20)16-6-15-10/h3-4,6-8,13,19H,1-2,5H2,(H,15,16,20).
What are the key properties of 1-[5-(hydroxymethyl)oxolan-2-yl]-7H-imidazo[4,5-g]quinazolin-8-one?
1-[5-(hydroxymethyl)oxolan-2-yl]-7H-imidazo[4,5-g]quinazolin-8-one has a molecular weight of 286.29 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(hydroxymethyl)oxolan-2-yl]-7H-imidazo[4,5-g]quinazolin-8-one is sourced from PubChem (CID 142256542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).