7-methoxy-2-methyl-6-[(3S)-oxolan-3-yl]oxy-6H-quinazolin-4-one

C14H16N2O4 — CID 156595191

IUPAC7-methoxy-2-methyl-6-[(3S)-oxolan-3-yl]oxy-6H-quinazolin-4-one
SMILESCOC1=CC2=NC(C)=NC(=O)C2=CC1O[C@H]1CCOC1
InChIInChI=1S/C14H16N2O4/c1-8-15-11-6-12(18-2)13(5-10(11)14(17)16-8)20-9-3-4-19-7-9/h5-6,9,13H,3-4,7H2,1-2H3/t9-,13?/m0/s1
InChIKeyZQJSEOXBTJAISO-LLTODGECSA-N
MW276.29 g/mol
LogP1.03
Rot. Bonds3

About 7-methoxy-2-methyl-6-[(3S)-oxolan-3-yl]oxy-6H-quinazolin-4-one

7-methoxy-2-methyl-6-[(3S)-oxolan-3-yl]oxy-6H-quinazolin-4-one (PubChem CID 156595191) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 7-methoxy-2-methyl-6-[(3S)-oxolan-3-yl]oxy-6H-quinazolin-4-one.

Molecular Properties

Compound Name7-methoxy-2-methyl-6-[(3S)-oxolan-3-yl]oxy-6H-quinazolin-4-one
PubChem CID156595191
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name7-methoxy-2-methyl-6-[(3S)-oxolan-3-yl]oxy-6H-quinazolin-4-one
SMILESCOC1=CC2=NC(C)=NC(=O)C2=CC1O[C@H]1CCOC1
InChIInChI=1S/C14H16N2O4/c1-8-15-11-6-12(18-2)13(5-10(11)14(17)16-8)20-9-3-4-19-7-9/h5-6,9,13H,3-4,7H2,1-2H3/t9-,13?/m0/s1
InChIKeyZQJSEOXBTJAISO-LLTODGECSA-N
XLogP1.03
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-6-[(3S)-oxolan-3-yl]oxy-6H-quinazolin-4-one?
The IUPAC name of 7-methoxy-2-methyl-6-[(3S)-oxolan-3-yl]oxy-6H-quinazolin-4-one (CID 156595191) is 7-methoxy-2-methyl-6-[(3S)-oxolan-3-yl]oxy-6H-quinazolin-4-one.
What is the SMILES notation for 7-methoxy-2-methyl-6-[(3S)-oxolan-3-yl]oxy-6H-quinazolin-4-one?
The canonical SMILES for 7-methoxy-2-methyl-6-[(3S)-oxolan-3-yl]oxy-6H-quinazolin-4-one is COC1=CC2=NC(C)=NC(=O)C2=CC1O[C@H]1CCOC1.
What is the InChIKey of 7-methoxy-2-methyl-6-[(3S)-oxolan-3-yl]oxy-6H-quinazolin-4-one?
The InChIKey is ZQJSEOXBTJAISO-LLTODGECSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-8-15-11-6-12(18-2)13(5-10(11)14(17)16-8)20-9-3-4-19-7-9/h5-6,9,13H,3-4,7H2,1-2H3/t9-,13?/m0/s1.
What are the key properties of 7-methoxy-2-methyl-6-[(3S)-oxolan-3-yl]oxy-6H-quinazolin-4-one?
7-methoxy-2-methyl-6-[(3S)-oxolan-3-yl]oxy-6H-quinazolin-4-one has a molecular weight of 276.29 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-6-[(3S)-oxolan-3-yl]oxy-6H-quinazolin-4-one is sourced from PubChem (CID 156595191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).