2-[5-(hydroxymethyl)furan-2-yl]-6-methoxy-3H-quinazolin-4-one

C14H12N2O4 — CID 175773932

IUPAC2-[5-(hydroxymethyl)furan-2-yl]-6-methoxy-3H-quinazolin-4-one
SMILESCOc1ccc2nc(-c3ccc(CO)o3)[nH]c(=O)c2c1
InChIInChI=1S/C14H12N2O4/c1-19-8-2-4-11-10(6-8)14(18)16-13(15-11)12-5-3-9(7-17)20-12/h2-6,17H,7H2,1H3,(H,15,16,18)
InChIKeyXGCRMGVKSIUNAB-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.68
Rot. Bonds3

About 2-[5-(hydroxymethyl)furan-2-yl]-6-methoxy-3H-quinazolin-4-one

2-[5-(hydroxymethyl)furan-2-yl]-6-methoxy-3H-quinazolin-4-one (PubChem CID 175773932) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-[5-(hydroxymethyl)furan-2-yl]-6-methoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[5-(hydroxymethyl)furan-2-yl]-6-methoxy-3H-quinazolin-4-one
PubChem CID175773932
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name2-[5-(hydroxymethyl)furan-2-yl]-6-methoxy-3H-quinazolin-4-one
SMILESCOc1ccc2nc(-c3ccc(CO)o3)[nH]c(=O)c2c1
InChIInChI=1S/C14H12N2O4/c1-19-8-2-4-11-10(6-8)14(18)16-13(15-11)12-5-3-9(7-17)20-12/h2-6,17H,7H2,1H3,(H,15,16,18)
InChIKeyXGCRMGVKSIUNAB-UHFFFAOYSA-N
XLogP1.68
TPSA88.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-2-methyl-3H-quinazolin-4-one
CID 135449497
2-(ethylamino)-6-methoxy-3H-quinazolin-4-one
CID 137287759
(6-methoxy-4-oxo-3H-quinazolin-2-yl)methyl acetate
CID 156870481
7-methoxy-2-(4-methoxyphenyl)-3H-quinazolin-4-one
CID 136593380
2-[6-(2,2-difluoroethoxy)-2-pyridinyl]-6-methoxy-3H-quinazolin-4-one
CID 167908841
2-[4-(2-hydroxyethoxy)phenyl]-6-methyl-3H-quinazolin-4-one
CID 136703862
N-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]formamide
CID 168652571
2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399
4-fluoro-6-methoxy-3H-quinazolin-2-one
CID 70521421
(6-methoxy-4-methylquinolin-2-yl)methanol
CID 82576399
2-[5-(4-chlorophenyl)furan-2-yl]-6-methoxy-1H-benzimidazole
CID 132591742
6-methoxy-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135448199

Frequently Asked Questions

What is the IUPAC name of 2-[5-(hydroxymethyl)furan-2-yl]-6-methoxy-3H-quinazolin-4-one?
The IUPAC name of 2-[5-(hydroxymethyl)furan-2-yl]-6-methoxy-3H-quinazolin-4-one (CID 175773932) is 2-[5-(hydroxymethyl)furan-2-yl]-6-methoxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-[5-(hydroxymethyl)furan-2-yl]-6-methoxy-3H-quinazolin-4-one?
The canonical SMILES for 2-[5-(hydroxymethyl)furan-2-yl]-6-methoxy-3H-quinazolin-4-one is COc1ccc2nc(-c3ccc(CO)o3)[nH]c(=O)c2c1.
What is the InChIKey of 2-[5-(hydroxymethyl)furan-2-yl]-6-methoxy-3H-quinazolin-4-one?
The InChIKey is XGCRMGVKSIUNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-19-8-2-4-11-10(6-8)14(18)16-13(15-11)12-5-3-9(7-17)20-12/h2-6,17H,7H2,1H3,(H,15,16,18).
What are the key properties of 2-[5-(hydroxymethyl)furan-2-yl]-6-methoxy-3H-quinazolin-4-one?
2-[5-(hydroxymethyl)furan-2-yl]-6-methoxy-3H-quinazolin-4-one has a molecular weight of 272.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(hydroxymethyl)furan-2-yl]-6-methoxy-3H-quinazolin-4-one is sourced from PubChem (CID 175773932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).