8-hydroxy-6-[3-(methoxymethyl)phenyl]-3H-quinazolin-4-one

C16H14N2O3 — CID 136608295

IUPAC8-hydroxy-6-[3-(methoxymethyl)phenyl]-3H-quinazolin-4-one
SMILESCOCc1cccc(-c2cc(O)c3nc[nH]c(=O)c3c2)c1
InChIInChI=1S/C16H14N2O3/c1-21-8-10-3-2-4-11(5-10)12-6-13-15(14(19)7-12)17-9-18-16(13)20/h2-7,9,19H,8H2,1H3,(H,17,18,20)
InChIKeySZGFCXRZWSLZFH-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.44
Rot. Bonds3

About 8-hydroxy-6-[3-(methoxymethyl)phenyl]-3H-quinazolin-4-one

8-hydroxy-6-[3-(methoxymethyl)phenyl]-3H-quinazolin-4-one (PubChem CID 136608295) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 8-hydroxy-6-[3-(methoxymethyl)phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-hydroxy-6-[3-(methoxymethyl)phenyl]-3H-quinazolin-4-one
PubChem CID136608295
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name8-hydroxy-6-[3-(methoxymethyl)phenyl]-3H-quinazolin-4-one
SMILESCOCc1cccc(-c2cc(O)c3nc[nH]c(=O)c3c2)c1
InChIInChI=1S/C16H14N2O3/c1-21-8-10-3-2-4-11(5-10)12-6-13-15(14(19)7-12)17-9-18-16(13)20/h2-7,9,19H,8H2,1H3,(H,17,18,20)
InChIKeySZGFCXRZWSLZFH-UHFFFAOYSA-N
XLogP2.44
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-6-[3-(methoxymethyl)phenyl]-3H-quinazolin-4-one?
The IUPAC name of 8-hydroxy-6-[3-(methoxymethyl)phenyl]-3H-quinazolin-4-one (CID 136608295) is 8-hydroxy-6-[3-(methoxymethyl)phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 8-hydroxy-6-[3-(methoxymethyl)phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 8-hydroxy-6-[3-(methoxymethyl)phenyl]-3H-quinazolin-4-one is COCc1cccc(-c2cc(O)c3nc[nH]c(=O)c3c2)c1.
What is the InChIKey of 8-hydroxy-6-[3-(methoxymethyl)phenyl]-3H-quinazolin-4-one?
The InChIKey is SZGFCXRZWSLZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-21-8-10-3-2-4-11(5-10)12-6-13-15(14(19)7-12)17-9-18-16(13)20/h2-7,9,19H,8H2,1H3,(H,17,18,20).
What are the key properties of 8-hydroxy-6-[3-(methoxymethyl)phenyl]-3H-quinazolin-4-one?
8-hydroxy-6-[3-(methoxymethyl)phenyl]-3H-quinazolin-4-one has a molecular weight of 282.30 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-6-[3-(methoxymethyl)phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 136608295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).